Карточка модели

Данная карточка описывает модель Мевалонатного метаболического пути биосинтеза холестерина, визуализированную в программном модуле «Метаболом». Модель была построена с применением инструмента andSystem, в рамках которого создали ассоциативную генную сеть на базе отобранных ферментов Миеловатного метаболического пути. Сеть расширялась через связи выбранных ферментов с метаболитами, генами и ассоциированными с этими объектами заболеваниями. Далее эти данные передавались в разработанный модуль конвертации данных системы fluxModelingProtocols, который перерабатывал сеть в список метаболитов и их свойств и список метаболических реакций На основе этих списков один из протоколов инструментария fluxModelingProtocols генерировал модель.

Итоговая модель представлена серией файлов: список метаболитов и их свойств, список реакций и их свойств, модель в формате *.json (opencobra.github.io), метаболическая карта для инстурмента Escher. Метаболиты представлены в согласованном виде с базами BIGG (http://bigg.ucsd.edu/) и KEGG(https://www.kegg.jp), через ссылки на идентификаторы в поле «аннотация».

Метаболическая карта представлена в инструменте Escher (https://escher.github.io/), ставшего стандартом в задачах визуализации потоковых моделей. На данный момент еще не создано универсального решения, которое бы нарисовало метаболическую карту под любой набор реакций, поэтому приходится или брать готовую карту из библиотек (BIGG, например), или рисовать самому. В рамках представленной метаболическая сети можно отборажать рассчтанные характеристики потоков. Загрузка решений осуществляется через опцию DATA -> Load reactoon data где нужно выбрать соответствующий табличный файл *.csv (файл _sltn_Normal.csv или _sltn_Mutation.csv). Задача поиска максимума/минимума потока доступна в интерактивном режиме, где можно изменять граничные условия потоков и делать нокауты генов. Использовать это можно только с сайта авторов: ESCHER-fba. В это приложение можно загрузить модель TestModelCobra.json и карту MevalonateMap.json и в интерактивном режиме исследовать изменение потоков в сети.

ДЕМОНСТРАЦИОННЫЙ ПРИМЕР

На рисунке справа демонстрируется мевалонатный путь биосинтеза холестерина и моделирование эффекта известной мутации в гене MVD (хромосома 16, локус 16q24.3), кодирующем фермент MVD (Mevalonate Diphosphate Decarboxylase, реакция DPMVDx). По условиям моделирования его активность в реакции DPMVDx (Diphosphomevalonate -> Isopentenyl diphosphate) была снижена в 3 раза. Результаты расчётов показывают , что эта мутация приводит к снижению интенсивности преобразования десмостерола в холестерол – конечный продукт мевалонатного пути – с нормальной величины 0.555 (моль/г)/ч до 0.0185 (моль/г)/ч. При моделировании снижения в 3 раза активности фермента MVD в реакции DPMVDx. Цветом показаны величины потоков.

Метаболическая карта: Норма

Реакции модели

Идентификатор реакцииНазвание фермента/реакцииБиохим. реакцияlboundrbound
C3STDH1rC-3 sterol dehydrogenase (4-methylzymosterol)4mzym_int1_r + nad_r --> 4mzym_int2_r + co2_r + h_r + nadh_r0.01000.0
C4STMO1rC-4 sterol methyl oxidase (4,4-dimethylzymosterol)44mzym_r + 3.0 h_r + 3.0 nadph_r + 3.0 o2_r --> 4mzym_int1_r + 4.0 h2o_r + 3.0 nadp_r0.01000.0
C4STMO2PrC-4 methyl sterol oxidase4mzym_int2_r + nadp_r + o2_r --> co2_r + h_r + nadph_r + zym_int2_r0.01000.0
CH25HCholesterol 25-hydroxylasechsterol_r + h_r + nadph_r + o2_r --> h2o_r + nadp_r + xol25oh_r0.01000.0
DMATTxDimethylallyltranstransferasedmpp_x + ipdp_x --> grdp_x + ppi_x0.01000.0
FADH2truFADH2 transporter, endoplasmic reticulumfadh2_c --> fadh2_r0.01000.0
FADtruFAD transporter, endoplasmic reticulumfad_r --> fad_c0.01000.0
FRDPtcLipid, flip-flop intracellular transportfrdp_x <=> frdp_c-1000.01000.0
FRDPtrLipid, flip-flop intracellular transportfrdp_x <=> frdp_r-1000.01000.0
HMGCOAtxHydroxymethylglutaryl-CoA reversible peroxisomal transporthmgcoa_c <=> hmgcoa_x-1000.01000.0
LSTO1rLathosterol oxidasechlstol_r + h_r + nadph_r + o2_r --> ddsmsterol_r + 2.0 h2o_r + nadp_r0.01000.0
SQLErSqualene epoxidase endoplasmic reticular NADPh_r + nadph_r + o2_r + sql_r --> Ssq23epx_r + h2o_r + nadp_r0.01000.0
SQLSrSqualene synthase2.0 frdp_r + h_r + nadph_r --> nadp_r + 2.0 ppi_r + sql_r0.01000.0
LNS14DMrCytochrome P450 lanosterol 14-alpha-demethylase2.0 h_r + lanost_r + 3.0 nadph_r + 3.0 o2_r --> 44mctr_r + for_r + 4.0 h2o_r + 3.0 nadp_r0.01000.0
HMGCOARxHydroxymethylglutaryl CoA reductase (ir)2.0 h_x + hmgcoa_x + 2.0 nadph_x --> coa_x + mev__R_x + 2.0 nadp_x0.01000.0
C14STRrC-14 sterol reductase44mctr_r + h_r + nadph_r --> 44mzym_r + nadp_r0.01000.0
C3STDH1PrC-3 sterol dehydrogenase (4-methylzymosterol)4mzym_int1_r + nadp_r --> 4mzym_int2_r + co2_r + h_r + nadph_r0.01000.0
C3STKR2rC-3 sterol keto reductase (zymosterol)h_r + nadph_r + zym_int2_r --> nadp_r + zymst_r0.01000.0
C4STMO2rC-4 methyl sterol oxidase4mzym_int2_r + nad_r + o2_r --> co2_r + h_r + nadh_r + zym_int2_r0.01000.0
DHCR241r24-dehydrocholesterol reductase [Precursor]fadh2_r + zymst_r --> fad_r + zymstnl_r0.01000.0
DHCR242r24-dehydrocholesterol reductase [Precursor]chlstol_r + fadh2_r --> fad_r + lthstrl_r0.01000.0
DHCR243r24-dehydrocholesterol reductase [Precursor]dsmsterol_r + fadh2_r --> chsterol_r + fad_r0.01000.0
DHCR71r7-dehydrocholesterol reductaseddsmsterol_r + h_r + nadph_r --> dsmsterol_r + nadp_r0.01000.0
DPMVDxDiphosphomevalonate decarboxylase5dpmev_x + atp_x --> adp_x + co2_x + ipdp_x + pi_x0.1110.111
EBP1r3-beta-hydroxysteroid-delta(8),delta(7)-isomerasezymst_r --> chlstol_r0.01000.0
GRTTxGeranyltranstransferasegrdp_x + ipdp_x --> frdp_x + ppi_x0.01000.0
HMGCOASHydroxymethylglutaryl CoA synthasecoa_c + h_c + hmgcoa_c <-- aacoa_c + accoa_c + h2o_c-1000.00.0
IPDDIxIsopentenyl-diphosphate D-isomeraseipdp_x <=> dmpp_x-1000.01000.0
LNSTLSrLanosterol synthaseSsq23epx_r --> lanost_r0.01000.0
MEVK1xMevalonate kinase (atp)atp_x + mev__R_x --> 5pmev_x + adp_x + h_x0.01000.0
PMEVKxPhosphomevalonate kinase5pmev_x + atp_x --> 5dpmev_x + adp_x0.3330.333
ACACT1rAcetyl-CoA C-acetyltransferase2.0 accoa_c <=> aacoa_c + coa_c-1000.01000.0
EX_accoa_cEX_accoa_caccoa_c <-- -1.0-1.0
DEMAND_atp_xATP C10H12N5O13P3 demandsatp_x <-- -1000.00.0
DEMAND_nadph_xNicotinamide adenine dinucleotide phosphate - reduced demandsnadph_x <-- -1000.00.0
DEMAND_h_cH+ demandsh_c <-- -1000.00.0
DEMAND_h_xH+ demandsh_x <-- -1000.00.0
DEMAND_h2o_cH2O H2O demandsh2o_c <-- -1000.00.0
SINK_h_cH+ sinksh_c --> 0.01000.0
SINK_h_xH+ sinksh_x --> -0.01000.0
SINK_nadp_xNicotinamide adenine dinucleotide phosphate sinksnadp_x --> -0.01000.0
SINK_atp_xATP C10H12N5O13P3 sinksatp_x --> 0.00.0
SINK_co2_xCO2 CO2 sinksco2_x --> -0.01000.0
SINK_pi_xPhosphate sinkspi_x --> -0.01000.0
SINK_ppi_xDiphosphate sinksppi_x --> -0.01000.0
SINK_fad_cFlavin adenine dinucleotide oxidized sinksfad_c --> -0.01000.0
SINK_fadh2_cFlavin adenine dinucleotide reduced sinksfadh2_c --> -0.01000.0
SINK_adp_xADP C10H12N5O10P2 sinksadp_x --> -0.01000.0
SINK_coa_cCoenzyme A sinkscoa_c --> -0.01000.0
SINK_coa_xCoenzyme A sinkscoa_x --> -0.01000.0
SINK_ipdp_xIsopentenyl diphosphate sinksipdp_x --> -0.01000.0
SINK_frdp_cFarnesyl diphosphate sinksfrdp_c --> -0.01000.0
DEMAND_nadph_rNicotinamide adenine dinucleotide phosphate demandsnadph_r <-- -1000.00.0
DEMAND_h_rH+ demandsh_r <-- -1000.00.0
DEMAND_o2_rO2 demandso2_r <-- -1000.00.0
SINK_nadp_rNicotinamide adenine dinucleotide phosphate sinksnadp_r --> -0.01000.0
SINK_h2o_rH2O H2O sinksh2o_r --> -0.01000.0
SINK_for_rFormate sinksfor_r --> -0.01000.0
SINK_co2_rCO2 CO2 sinksco2_r --> -0.01000.0
SINK_h_rH+ sinksh_r --> -0.01000.0
SINK_lanost_rLanosterol C30H50O sinkslanost_r --> -0.01000.0
SINK_nadph_rNicotinamide adenine dinucleotide phosphate - reduced sinksnadph_r --> -0.01000.0
SINK_ppi_rDiphosphate sinksppi_r --> -0.01000.0
SINK_4mzym_int1_r4 Methylzymosterol intermediate 1 C29H46O3 sinks4mzym_int1_r --> -0.01000.0
DEMAND_fadh2_rFlavin adenine dinucleotide reduced demandsfadh2_r <-- -1000.00.0
SINK_zymstnl_r5alpha-cholest-8-en-3beta-ol sinkszymstnl_r --> -0.01000.0
SINK_lthstrl_r5alpha-Cholest-7-en-3beta-ol sinkslthstrl_r --> -0.01000.0
SINK_zym_int2_rZymosterol intermediate 2 C27H42O sinkszym_int2_r --> -0.01000.0
DEMAND_nad_rNicotinamide adenine dinucleotide demandsnad_r <-- -1000.00.0
SINK_chsterol_rChsterol c sinkschsterol_r --> -0.01000.0
SINK_xol25oh_r25-Hydroxycholesterol sinksxol25oh_r --> -0.01000.0
SINK_5dpmev_xR 5 Diphosphomevalonate sinks5dpmev_x --> -0.01000.0
SINK_5pmev_xR 5 Phosphomevalonate sinks5pmev_x --> -0.01000.0
SINK_mev__R_xR Mevalonate sinksmev__R_x --> -0.01000.0

Метаболиты

Идентификатор метаболитаНазваниеФормулаКомментарийАннотация
ppi_xDiphosphateHO7P2peroxisome/glyoxysome{'bigg.metabolite': ['ppi'], 'biocyc': ['META:PYROPHOSPHATE-GROUP', 'META:PPI'], 'chebi': ['CHEBI:45212', 'CHEBI:45208', 'CHEBI:8683', 'CHEBI:45067', 'CHEBI:33018', 'CHEBI:29888', 'CHEBI:33017', 'CHEBI:33019', 'CHEBI:42009', 'CHEBI:13420', 'CHEBI:18361'], 'hmdb': ['HMDB00250'], 'inchi_key': ['XPPKVPWEQAFLFU-UHFFFAOYSA-K'], 'kegg.compound': ['C00013'], 'metanetx.chemical': ['MNXM11'], 'reactome.compound': ['159450', '113542', '8878981', '389593', '113541', '8938078', '111294', '2046049', '6806656', '1132084'], 'sabiork': ['1267'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00012', 'cpd27828']}
dmpp_xDimethylallyl diphosphateC5H9O7P2peroxisome/glyoxysome{'bigg.metabolite': ['dmpp'], 'biocyc': ['META:CPD-4211'], 'chebi': ['CHEBI:14883', 'CHEBI:57623', 'CHEBI:8394', 'CHEBI:12280', 'CHEBI:4616', 'CHEBI:23803', 'CHEBI:16057', 'CHEBI:26245', 'CHEBI:341937', 'CHEBI:14169', 'CHEBI:42074', 'CHEBI:18108'], 'hmdb': ['HMDB02101', 'HMDB01120'], 'inchi_key': ['CBIDRCWHNCKSTO-UHFFFAOYSA-K'], 'kegg.compound': ['C00235'], 'lipidmaps': ['LMPR01010001'], 'metanetx.chemical': ['MNXM132'], 'reactome.compound': ['1132235', '6787596', '191324'], 'sabiork': ['1986'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00202']}
frdp_cFarnesyl diphosphateC15H25O7P2cytosol{'bigg.metabolite': ['frdp'], 'biocyc': ['META:FARNESYL-PP'], 'chebi': ['CHEBI:50277', 'CHEBI:19789', 'CHEBI:24016', 'CHEBI:12874', 'CHEBI:12854', 'CHEBI:10700', 'CHEBI:42496', 'CHEBI:175763', 'CHEBI:11488', 'CHEBI:11491', 'CHEBI:17407', 'CHEBI:14231'], 'hmdb': ['HMDB04201', 'HMDB00961'], 'inchi_key': ['VWFJDQUYCIWHTN-YFVJMOTDSA-K'], 'kegg.compound': ['C00448'], 'lipidmaps': ['LMPR0103010002'], 'metanetx.chemical': ['MNXM34'], 'reactome.compound': ['191385', '2162257', '4419987'], 'sabiork': ['5095'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00350']}
nadph_xNicotinamide adenine dinucleotide phosphate - reducedC21H26N7O17P3peroxisome/glyoxysome{'bigg.metabolite': ['nadph'], 'biocyc': ['META:NADPH'], 'chebi': ['CHEBI:16474', 'CHEBI:7425', 'CHEBI:57783', 'CHEBI:21904', 'CHEBI:13399', 'CHEBI:13400', 'CHEBI:44286'], 'hmdb': ['HMDB06341', 'HMDB00221', 'HMDB00799'], 'inchi_key': ['ACFIXJIJDZMPPO-NNYOXOHSSA-J'], 'kegg.compound': ['C00005'], 'metanetx.chemical': ['MNXM6'], 'reactome.compound': ['113600', '6790135', '113602', '113601', '2000347', '351627', '29364', '5623644', '194725'], 'sabiork': ['1262'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00005']}
ipdp_xIsopentenyl diphosphateC5H9O7P2peroxisome/glyoxysome{'bigg.metabolite': ['ipdp'], 'biocyc': ['META:DELTA3-ISOPENTENYL-PP'], 'chebi': ['CHEBI:128769', 'CHEBI:24907', 'CHEBI:6037', 'CHEBI:14473', 'CHEBI:16584'], 'hmdb': ['HMDB01347', 'HMDB04196'], 'inchi_key': ['NUHSROFQTUXZQQ-UHFFFAOYSA-K'], 'kegg.compound': ['C00129'], 'lipidmaps': ['LMPR01010008'], 'metanetx.chemical': ['MNXM83'], 'reactome.compound': ['191362', '2162256'], 'sabiork': ['5009'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00113']}
frdp_xFarnesyl diphosphateC15H25O7P2peroxisome/glyoxysome{'bigg.metabolite': ['frdp'], 'biocyc': ['META:FARNESYL-PP'], 'chebi': ['CHEBI:50277', 'CHEBI:19789', 'CHEBI:24016', 'CHEBI:12874', 'CHEBI:12854', 'CHEBI:10700', 'CHEBI:42496', 'CHEBI:175763', 'CHEBI:11488', 'CHEBI:11491', 'CHEBI:17407', 'CHEBI:14231'], 'hmdb': ['HMDB04201', 'HMDB00961'], 'inchi_key': ['VWFJDQUYCIWHTN-YFVJMOTDSA-K'], 'kegg.compound': ['C00448'], 'lipidmaps': ['LMPR0103010002'], 'metanetx.chemical': ['MNXM34'], 'reactome.compound': ['191385', '2162257', '4419987'], 'sabiork': ['5095'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00350']}
h2o_cH2O H2OH2Ocytosol{'bigg.metabolite': ['h2o'], 'biocyc': ['META:CPD-15815', 'META:OXONIUM', 'META:HYDROXYL-GROUP', 'META:WATER', 'META:OH'], 'chebi': ['CHEBI:13352', 'CHEBI:30490', 'CHEBI:43228', 'CHEBI:33813', 'CHEBI:44292', 'CHEBI:44641', 'CHEBI:27313', 'CHEBI:42043', 'CHEBI:44819', 'CHEBI:29356', 'CHEBI:5594', 'CHEBI:10743', 'CHEBI:15377', 'CHEBI:42857', 'CHEBI:13365', 'CHEBI:29412', 'CHEBI:16234', 'CHEBI:13419', 'CHEBI:5585', 'CHEBI:44701'], 'envipath': ['650babc9-9d68-4b73-9332-11972ca26f7b/compound/799908db-b8c9-4982-86cb-1f225e2ad08c', '650babc9-9d68-4b73-9332-11972ca26f7b/compound/e7f34a8e-cded-4793-b6d5-792335b38636', '5882df9c-dae1-4d80-a40e-db4724271456/compound/969d0227-3069-4e44-9525-7ae7bad84170'], 'hmdb': ['HMDB02111', 'HMDB01039'], 'inchi_key': ['XLYOFNOQVPJJNP-UHFFFAOYSA-N'], 'kegg.compound': ['C00001', 'C01328'], 'kegg.drug': ['D00001', 'D06322'], 'metanetx.chemical': ['MNXM2'], 'reactome.compound': ['113521', '141343', '2022884', '5278291', '29356', '189422', '5668574', '5693747', '109276', '113519', '1605715', '8851517', '113518', '351603'], 'sabiork': ['40'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd27222', 'cpd00001', 'cpd15275']}
h2o_rH2O H2OH2Oendoplasmic reticulum{'bigg.metabolite': ['h2o'], 'biocyc': ['META:CPD-15815', 'META:OXONIUM', 'META:HYDROXYL-GROUP', 'META:WATER', 'META:OH'], 'chebi': ['CHEBI:13352', 'CHEBI:30490', 'CHEBI:43228', 'CHEBI:33813', 'CHEBI:44292', 'CHEBI:44641', 'CHEBI:27313', 'CHEBI:42043', 'CHEBI:44819', 'CHEBI:29356', 'CHEBI:5594', 'CHEBI:10743', 'CHEBI:15377', 'CHEBI:42857', 'CHEBI:13365', 'CHEBI:29412', 'CHEBI:16234', 'CHEBI:13419', 'CHEBI:5585', 'CHEBI:44701'], 'envipath': ['650babc9-9d68-4b73-9332-11972ca26f7b/compound/799908db-b8c9-4982-86cb-1f225e2ad08c', '650babc9-9d68-4b73-9332-11972ca26f7b/compound/e7f34a8e-cded-4793-b6d5-792335b38636', '5882df9c-dae1-4d80-a40e-db4724271456/compound/969d0227-3069-4e44-9525-7ae7bad84170'], 'hmdb': ['HMDB02111', 'HMDB01039'], 'inchi_key': ['XLYOFNOQVPJJNP-UHFFFAOYSA-N'], 'kegg.compound': ['C00001', 'C01328'], 'kegg.drug': ['D00001', 'D06322'], 'metanetx.chemical': ['MNXM2'], 'reactome.compound': ['113521', '141343', '2022884', '5278291', '29356', '189422', '5668574', '5693747', '109276', '113519', '1605715', '8851517', '113518', '351603'], 'sabiork': ['40'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd27222', 'cpd00001', 'cpd15275']}
lanost_rLanosterol C30H50OC30H50Oendoplasmic reticulum{'bigg.metabolite': ['lanost'], 'biocyc': ['META:LANOSTEROL'], 'chebi': ['CHEBI:25011', 'CHEBI:6374', 'CHEBI:16521', 'CHEBI:14500', 'CHEBI:43584'], 'hmdb': ['HMDB01462', 'HMDB01323', 'HMDB01251'], 'inchi_key': ['CAHGCLMLTWQZNJ-BQNIITSRSA-N'], 'kegg.compound': ['C01724'], 'lipidmaps': ['LMST01010017'], 'metanetx.chemical': ['MNXM482'], 'reactome.compound': ['194634'], 'sabiork': ['5753'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd01188'], 'slm': ['000000311']}
atp_xATP C10H12N5O13P3C10H12N5O13P3peroxisome/glyoxysome{'bigg.metabolite': ['atp'], 'biocyc': ['META:ATP'], 'chebi': ['CHEBI:15422', 'CHEBI:10789', 'CHEBI:10841', 'CHEBI:2359', 'CHEBI:22249', 'CHEBI:13236', 'CHEBI:237958', 'CHEBI:30616', 'CHEBI:57299', 'CHEBI:40938'], 'hmdb': ['HMDB00538'], 'inchi_key': ['ZKHQWZAMYRWXGA-KQYNXXCUSA-J'], 'kegg.compound': ['C00002'], 'kegg.drug': ['D08646'], 'metanetx.chemical': ['MNXM3'], 'reactome.compound': ['8878982', '389573', '8938081', '211579', '113593', '113592', '5632460', '5696069', '29358', '8869363', '6798184'], 'sabiork': ['34'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00002']}
frdp_rFarnesyl diphosphateC15H25O7P2endoplasmic reticulum{'bigg.metabolite': ['frdp'], 'biocyc': ['META:FARNESYL-PP'], 'chebi': ['CHEBI:50277', 'CHEBI:19789', 'CHEBI:24016', 'CHEBI:12874', 'CHEBI:12854', 'CHEBI:10700', 'CHEBI:42496', 'CHEBI:175763', 'CHEBI:11488', 'CHEBI:11491', 'CHEBI:17407', 'CHEBI:14231'], 'hmdb': ['HMDB04201', 'HMDB00961'], 'inchi_key': ['VWFJDQUYCIWHTN-YFVJMOTDSA-K'], 'kegg.compound': ['C00448'], 'lipidmaps': ['LMPR0103010002'], 'metanetx.chemical': ['MNXM34'], 'reactome.compound': ['191385', '2162257', '4419987'], 'sabiork': ['5095'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00350']}
nadp_xNicotinamide adenine dinucleotide phosphateC21H25N7O17P3peroxisome/glyoxysome{'bigg.metabolite': ['nadp'], 'biocyc': ['META:NADP'], 'chebi': ['CHEBI:29868', 'CHEBI:44405', 'CHEBI:25523', 'CHEBI:13397', 'CHEBI:18009', 'CHEBI:7424', 'CHEBI:13398', 'CHEBI:21903', 'CHEBI:58349', 'CHEBI:44409'], 'hmdb': ['HMDB00217'], 'inchi_key': ['XJLXINKUBYWONI-NNYOXOHSSA-K'], 'kegg.compound': ['C00006'], 'metanetx.chemical': ['MNXM5'], 'reactome.compound': ['194668', '113563', '6790191', '5623650', '2000348', '389556', '29366', '351628', '113564'], 'sabiork': ['1263'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00006']}
grdp_xGeranyl diphosphateC10H17O7P2peroxisome/glyoxysome{'bigg.metabolite': ['grdp'], 'biocyc': ['META:GERANYL-PP'], 'chebi': ['CHEBI:17211', 'CHEBI:24223', 'CHEBI:58057', 'CHEBI:42877', 'CHEBI:14299', 'CHEBI:5332'], 'hmdb': ['HMDB01285', 'HMDB02239', 'HMDB06506', 'HMDB01560'], 'inchi_key': ['GVVPGTZRZFNKDS-JXMROGBWSA-K'], 'kegg.compound': ['C00341'], 'lipidmaps': ['LMPR0102010001'], 'metanetx.chemical': ['MNXM100'], 'reactome.compound': ['191409'], 'sabiork': ['5050', '1846'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00283', 'cpd03476']}
h_cH+Hcytosol{'bigg.metabolite': ['h'], 'biocyc': ['META:PROTON'], 'chebi': ['CHEBI:5584', 'CHEBI:13357', 'CHEBI:15378', 'CHEBI:10744'], 'hmdb': ['HMDB59597'], 'inchi_key': ['GPRLSGONYQIRFK-UHFFFAOYSA-N'], 'kegg.compound': ['C00080'], 'metanetx.chemical': ['MNXM1'], 'reactome.compound': ['2000349', '425978', '74722', '428040', '427899', '428548', '156540', '70106', '425969', '1132304', '5668577', '1470067', '163953', '193465', '113529', '351626', '425999', '194688', '374900', '2872447', '372511'], 'sabiork': ['39'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00067']}
fad_rFlavin adenine dinucleotide oxidizedC27H31N9O15P2endoplasmic reticulum{'bigg.metabolite': ['fad'], 'biocyc': ['META:FAD'], 'chebi': ['CHEBI:16238', 'CHEBI:42388', 'CHEBI:21125', 'CHEBI:57692', 'CHEBI:13315', 'CHEBI:4956'], 'hmdb': ['HMDB01248'], 'inchi_key': ['IMGVNJNCCGXBHD-UYBVJOGSSA-K'], 'kegg.compound': ['C00016'], 'kegg.drug': ['D00005'], 'metanetx.chemical': ['MNXM33'], 'reactome.compound': ['113596', '29386', '113597'], 'sabiork': ['1270'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00015']}
Ssq23epx_r S Squalene 2 3 epoxide C30H50OC30H50Oendoplasmic reticulum{'bigg.metabolite': ['Ssq23epx'], 'biocyc': ['META:EPOXYSQUALENE'], 'chebi': ['CHEBI:18728', 'CHEBI:11072', 'CHEBI:372', 'CHEBI:11026', 'CHEBI:15441'], 'hmdb': ['HMDB01188', 'HMDB59621'], 'inchi_key': ['QYIMSPSDBYKPPY-RSKUXYSASA-N'], 'kegg.compound': ['C01054'], 'lipidmaps': ['LMPR0106010010'], 'metanetx.chemical': ['MNXM130'], 'reactome.compound': ['191309'], 'sabiork': ['5375'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00776']}
o2_rO2 O2O2endoplasmic reticulum{'bigg.metabolite': ['o2'], 'biocyc': ['META:OXYGEN-MOLECULE'], 'chebi': ['CHEBI:7860', 'CHEBI:26689', 'CHEBI:29097', 'CHEBI:15379', 'CHEBI:13416', 'CHEBI:27140', 'CHEBI:29793', 'CHEBI:30491', 'CHEBI:44742', 'CHEBI:23833', 'CHEBI:25366', 'CHEBI:10745'], 'envipath': ['5882df9c-dae1-4d80-a40e-db4724271456/compound/d5d12248-82d3-4cf3-b7d0-2e3d096768b4'], 'hmdb': ['HMDB01377'], 'inchi_key': ['MYMOFIZGZYHOMD-UHFFFAOYSA-N'], 'kegg.compound': ['C00007'], 'kegg.drug': ['D00003'], 'metanetx.chemical': ['MNXM4'], 'reactome.compound': ['113534', '113535', '113685', '5668566', '189461', '113533', '1131511', '352327', '351593', '29368', '1236709'], 'sabiork': ['1264'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00007']}
fadh2_rFlavin adenine dinucleotide reducedC27H33N9O15P2endoplasmic reticulum{'bigg.metabolite': ['fadh2'], 'biocyc': ['META:FADH2'], 'chebi': ['CHEBI:13316', 'CHEBI:42427', 'CHEBI:4957', 'CHEBI:17877', 'CHEBI:58307', 'CHEBI:21126'], 'hmdb': ['HMDB06358', 'HMDB06252', 'HMDB01197'], 'inchi_key': ['YPZRHBJKEMOYQH-UYBVJOGSSA-L'], 'kegg.compound': ['C01352'], 'metanetx.chemical': ['MNXM38'], 'reactome.compound': ['31649', '164934'], 'sabiork': ['2274'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00982']}
coa_xCoenzyme AC21H32N7O16P3Speroxisome/glyoxysome{'bigg.metabolite': ['coa'], 'biocyc': ['META:COA-GROUP', 'META:CO-A'], 'chebi': ['CHEBI:41631', 'CHEBI:41597', 'CHEBI:741566', 'CHEBI:23355', 'CHEBI:13295', 'CHEBI:13298', 'CHEBI:57287', 'CHEBI:15346', 'CHEBI:3771', 'CHEBI:13294'], 'envipath': ['32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/19310484-6aa5-4dcf-b1da-855a8c21ecfd'], 'hmdb': ['HMDB01423', 'HMDB62184'], 'inchi_key': ['RGJOEKWQDUBAIZ-IBOSZNHHSA-J'], 'kegg.compound': ['C00010'], 'metanetx.chemical': ['MNXM12'], 'reactome.compound': ['193514', '162743', '2485002', '1678675', '29374', '76194', '8939024'], 'sabiork': ['1265'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd22528', 'cpd00010']}
co2_xCO2 CO2CO2peroxisome/glyoxysome{'bigg.metabolite': ['co2'], 'biocyc': ['META:CARBON-DIOXIDE'], 'chebi': ['CHEBI:23011', 'CHEBI:3283', 'CHEBI:48829', 'CHEBI:16526', 'CHEBI:13283', 'CHEBI:13285', 'CHEBI:13284', 'CHEBI:13282'], 'envipath': ['650babc9-9d68-4b73-9332-11972ca26f7b/compound/2ec3da94-5f50-4525-81b1-5607c5c7a3d3', '32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/05f60af4-0a3f-4ead-9a29-33bb0f123379'], 'hmdb': ['HMDB01967'], 'inchi_key': ['CURLTUGMZLYLDI-UHFFFAOYSA-N'], 'kegg.compound': ['C00011'], 'kegg.drug': ['D00004'], 'metanetx.chemical': ['MNXM13'], 'reactome.compound': ['29376', '5668565', '189480', '1132345', '113528', '1237009', '159751', '389536', '159942'], 'sabiork': ['1266'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00011']}
zymstnl_r5alpha-cholest-8-en-3beta-olC27H46Oendoplasmic reticulum{'bigg.metabolite': ['zymstnl'], 'biocyc': ['META:CPD-8621'], 'chebi': ['CHEBI:2139', 'CHEBI:20645', 'CHEBI:16608', 'CHEBI:12170'], 'hmdb': ['HMDB59618', 'HMDB06841', 'HMDB06541'], 'inchi_key': ['QETLKNDKQOXZRP-XTGBIJOFSA-N'], 'kegg.compound': ['C03845'], 'lipidmaps': ['LMST01010096', 'LMST01010365'], 'metanetx.chemical': ['MNXM2494'], 'reactome.compound': ['6807048'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd02398'], 'slm': ['000000468']}
mev__R_x R Mevalonate C6H11O4C6H11O4peroxisome/glyoxysome{'bigg.metabolite': ['mev__R'], 'biocyc': ['META:MEVALONATE'], 'chebi': ['CHEBI:25350', 'CHEBI:36464', 'CHEBI:18691', 'CHEBI:17710', 'CHEBI:345', 'CHEBI:18690', 'CHEBI:43870', 'CHEBI:11005', 'CHEBI:25351'], 'hmdb': ['HMDB00227', 'HMDB59629'], 'inchi_key': ['KJTLQQUUPVSXIM-ZCFIWIBFSA-M'], 'kegg.compound': ['C00418'], 'lipidmaps': ['LMFA01050352'], 'metanetx.chemical': ['MNXM333'], 'reactome.compound': ['191424'], 'sabiork': ['2044', '20969'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00332']}
5pmev_x R 5 Phosphomevalonate C6H10O7PC6H10O7Pperoxisome/glyoxysome{'bigg.metabolite': ['5pmev'], 'biocyc': ['META:CPD-499'], 'chebi': ['CHEBI:10990', 'CHEBI:333', 'CHEBI:10991', 'CHEBI:58146', 'CHEBI:18675', 'CHEBI:17436'], 'hmdb': ['HMDB01343'], 'inchi_key': ['OKZYCXHTTZZYSK-ZCFIWIBFSA-K'], 'kegg.compound': ['C01107'], 'lipidmaps': ['LMFA01050415'], 'metanetx.chemical': ['MNXM567'], 'sabiork': ['5389'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00812']}
chsterol_rChsterol cC27H46Oendoplasmic reticulum{'bigg.metabolite': ['chsterol'], 'biocyc': ['META:CHOLESTEROL'], 'chebi': ['CHEBI:13982', 'CHEBI:41564', 'CHEBI:23204', 'CHEBI:16113', 'CHEBI:3659'], 'hmdb': ['HMDB00067', 'HMDB00507', 'HMDB62453'], 'inchi_key': ['HVYWMOMLDIMFJA-DPAQBDIFSA-N'], 'kegg.compound': ['C00187'], 'kegg.drug': ['D00040'], 'lipidmaps': ['LMST01010093', 'LMST01010001'], 'metanetx.chemical': ['MNXM103'], 'reactome.compound': ['8848047', '163586', '176478', '171149', '193840', '174672', '216762', '193384', '171095', '193156'], 'sabiork': ['1964'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00160'], 'slm': ['000000287']}
chlstol_r5alpha-Cholesta-7,24-dien-3beta-olC27H44Oendoplasmic reticulum{'bigg.metabolite': ['chlstol'], 'metanetx.chemical': ['MNXM162749'], 'sbo': 'SBO:0000247'}
coa_cCoenzyme AC21H32N7O16P3Scytosol{'bigg.metabolite': ['coa'], 'biocyc': ['META:COA-GROUP', 'META:CO-A'], 'chebi': ['CHEBI:41631', 'CHEBI:41597', 'CHEBI:741566', 'CHEBI:23355', 'CHEBI:13295', 'CHEBI:13298', 'CHEBI:57287', 'CHEBI:15346', 'CHEBI:3771', 'CHEBI:13294'], 'envipath': ['32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/19310484-6aa5-4dcf-b1da-855a8c21ecfd'], 'hmdb': ['HMDB01423', 'HMDB62184'], 'inchi_key': ['RGJOEKWQDUBAIZ-IBOSZNHHSA-J'], 'kegg.compound': ['C00010'], 'metanetx.chemical': ['MNXM12'], 'reactome.compound': ['193514', '162743', '2485002', '1678675', '29374', '76194', '8939024'], 'sabiork': ['1265'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd22528', 'cpd00010']}
xol25oh_r25-HydroxycholesterolC27H46O2endoplasmic reticulum{'bigg.metabolite': ['xol25oh'], 'biocyc': ['META:CPD-7285'], 'chebi': ['CHEBI:42977', 'CHEBI:37616', 'CHEBI:42972'], 'hmdb': ['HMDB06247'], 'inchi_key': ['INBGSXNNRGWLJU-ZHHJOTBYSA-N'], 'kegg.compound': ['C15519'], 'lipidmaps': ['LMST01010146', 'LMST01010018'], 'metanetx.chemical': ['MNXM852'], 'reactome.compound': ['192148', '8868400', '8868399', '8868393'], 'sabiork': ['23344'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd11199'], 'slm': ['000000818']}
nadph_rNicotinamide adenine dinucleotide phosphate - reducedC21H26N7O17P3endoplasmic reticulum{'bigg.metabolite': ['nadph'], 'biocyc': ['META:NADPH'], 'chebi': ['CHEBI:16474', 'CHEBI:7425', 'CHEBI:57783', 'CHEBI:21904', 'CHEBI:13399', 'CHEBI:13400', 'CHEBI:44286'], 'hmdb': ['HMDB06341', 'HMDB00221', 'HMDB00799'], 'inchi_key': ['ACFIXJIJDZMPPO-NNYOXOHSSA-J'], 'kegg.compound': ['C00005'], 'metanetx.chemical': ['MNXM6'], 'reactome.compound': ['113600', '6790135', '113602', '113601', '2000347', '351627', '29364', '5623644', '194725'], 'sabiork': ['1262'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00005']}
lthstrl_r5alpha-Cholest-7-en-3beta-olC27H46Oendoplasmic reticulum{'bigg.metabolite': ['lthstrl'], 'metanetx.chemical': ['MNXM162760'], 'sbo': 'SBO:0000247'}
h_xH+Hperoxisome/glyoxysome{'bigg.metabolite': ['h'], 'biocyc': ['META:PROTON'], 'chebi': ['CHEBI:5584', 'CHEBI:13357', 'CHEBI:15378', 'CHEBI:10744'], 'hmdb': ['HMDB59597'], 'inchi_key': ['GPRLSGONYQIRFK-UHFFFAOYSA-N'], 'kegg.compound': ['C00080'], 'metanetx.chemical': ['MNXM1'], 'reactome.compound': ['2000349', '425978', '74722', '428040', '427899', '428548', '156540', '70106', '425969', '1132304', '5668577', '1470067', '163953', '193465', '113529', '351626', '425999', '194688', '374900', '2872447', '372511'], 'sabiork': ['39'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00067']}
aacoa_cAcetoacetyl-CoAC25H36N7O18P3Scytosol{'bigg.metabolite': ['aacoa'], 'biocyc': ['META:ACETOACETYL-COA'], 'chebi': ['CHEBI:22173', 'CHEBI:15345', 'CHEBI:2392', 'CHEBI:13706', 'CHEBI:11756', 'CHEBI:41333', 'CHEBI:57286'], 'envipath': ['32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/e8a0c5c5-e9b1-4f85-94c1-d3d04866d6c9'], 'hmdb': ['HMDB01484', 'HMDB11665'], 'inchi_key': ['OJFDKHTZOUZBOS-CITAKDKDSA-J'], 'kegg.compound': ['C00332'], 'lipidmaps': ['LMFA07050030'], 'metanetx.chemical': ['MNXM133'], 'reactome.compound': ['191293', '73871'], 'sabiork': ['2019'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00279'], 'slm': ['000000298']}
accoa_cAcetyl-CoAC23H34N7O17P3Scytosol{'bigg.metabolite': ['accoa'], 'biocyc': ['META:ACETYL-COA'], 'chebi': ['CHEBI:57288', 'CHEBI:22192', 'CHEBI:15351', 'CHEBI:13712', 'CHEBI:2408', 'CHEBI:40470'], 'envipath': ['32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/57bd5e24-9d14-4b91-bc60-64c8ea6c2d11'], 'hmdb': ['HMDB01206'], 'inchi_key': ['ZSLZBFCDCINBPY-ZSJPKINUSA-J'], 'kegg.compound': ['C00024'], 'lipidmaps': ['LMFA07050029', 'LMFA07050281'], 'metanetx.chemical': ['MNXM21'], 'reactome.compound': ['727753', '76183', '113560', '353123', '113559'], 'sabiork': ['1276'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00022'], 'slm': ['000000297']}
co2_rCO2 CO2CO2endoplasmic reticulum{'bigg.metabolite': ['co2'], 'biocyc': ['META:CARBON-DIOXIDE'], 'chebi': ['CHEBI:23011', 'CHEBI:3283', 'CHEBI:48829', 'CHEBI:16526', 'CHEBI:13283', 'CHEBI:13285', 'CHEBI:13284', 'CHEBI:13282'], 'envipath': ['650babc9-9d68-4b73-9332-11972ca26f7b/compound/2ec3da94-5f50-4525-81b1-5607c5c7a3d3', '32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/05f60af4-0a3f-4ead-9a29-33bb0f123379'], 'hmdb': ['HMDB01967'], 'inchi_key': ['CURLTUGMZLYLDI-UHFFFAOYSA-N'], 'kegg.compound': ['C00011'], 'kegg.drug': ['D00004'], 'metanetx.chemical': ['MNXM13'], 'reactome.compound': ['29376', '5668565', '189480', '1132345', '113528', '1237009', '159751', '389536', '159942'], 'sabiork': ['1266'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00011']}
hmgcoa_cHydroxymethylglutaryl CoA C27H39N7O20P3SC27H39N7O20P3Scytosol{'bigg.metabolite': ['hmgcoa'], 'chebi': ['CHEBI:11814'], 'hmdb': ['HMDB01375'], 'inchi_key': ['CABVTRNMFUVUDM-SJBCKIPMSA-I'], 'lipidmaps': ['LMFA07050209'], 'metanetx.chemical': ['MNXM36493'], 'sabiork': ['2029'], 'sbo': 'SBO:0000247'}
dsmsterol_rDesmosterol; 3beta-cholesta-5,24-dien-3-olC27H44Oendoplasmic reticulum{'bigg.metabolite': ['dsmsterol'], 'metanetx.chemical': ['MNXM162959'], 'sbo': 'SBO:0000247'}
4mzym_int1_r4 Methylzymosterol intermediate 1 C29H46O3C29H46O3endoplasmic reticulum{'bigg.metabolite': ['4mzym_int1'], 'hmdb': ['HMDB60146'], 'metanetx.chemical': ['MNXM7449'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd15212']}
ddsmsterol_r7-DehydrodesmosterolC27H42Oendoplasmic reticulum{'bigg.metabolite': ['ddsmsterol'], 'metanetx.chemical': ['MNXM162832'], 'sbo': 'SBO:0000247'}
4mzym_int2_r4 Methylzymosterol intermediate 2 C28H44OC28H44Oendoplasmic reticulum{'bigg.metabolite': ['4mzym_int2'], 'hmdb': ['HMDB60142'], 'metanetx.chemical': ['MNXM8744'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd15213']}
hmgcoa_xHydroxymethylglutaryl CoA C27H39N7O20P3SC27H39N7O20P3Speroxisome/glyoxysome{'bigg.metabolite': ['hmgcoa'], 'chebi': ['CHEBI:11814'], 'hmdb': ['HMDB01375'], 'inchi_key': ['CABVTRNMFUVUDM-SJBCKIPMSA-I'], 'lipidmaps': ['LMFA07050209'], 'metanetx.chemical': ['MNXM36493'], 'sabiork': ['2029'], 'sbo': 'SBO:0000247'}
sql_rSqualene C30H50C30H50endoplasmic reticulum{'bigg.metabolite': ['sql'], 'biocyc': ['META:SQUALENE'], 'chebi': ['CHEBI:15104', 'CHEBI:26746', 'CHEBI:9245', 'CHEBI:10843', 'CHEBI:10795', 'CHEBI:15440'], 'hmdb': ['HMDB00256'], 'inchi_key': ['YYGNTYWPHWGJRM-AAJYLUCBSA-N'], 'kegg.compound': ['C00751'], 'lipidmaps': ['LMPR0106010002'], 'metanetx.chemical': ['MNXM292'], 'reactome.compound': ['191269'], 'sabiork': ['5212'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00559']}
nadh_rNicotinamide adenine dinucleotide - reducedC21H27N7O14P2endoplasmic reticulum{'bigg.metabolite': ['nadh'], 'biocyc': ['META:NADH'], 'chebi': ['CHEBI:13395', 'CHEBI:21902', 'CHEBI:7423', 'CHEBI:44216', 'CHEBI:57945', 'CHEBI:16908', 'CHEBI:13396'], 'hmdb': ['HMDB01487'], 'inchi_key': ['BOPGDPNILDQYTO-NNYOXOHSSA-L'], 'kegg.compound': ['C00004'], 'metanetx.chemical': ['MNXM10'], 'reactome.compound': ['192305', '73473', '29362', '194697'], 'sabiork': ['38'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00004']}
fad_cFlavin adenine dinucleotide oxidizedC27H31N9O15P2cytosol{'bigg.metabolite': ['fad'], 'biocyc': ['META:FAD'], 'chebi': ['CHEBI:16238', 'CHEBI:42388', 'CHEBI:21125', 'CHEBI:57692', 'CHEBI:13315', 'CHEBI:4956'], 'hmdb': ['HMDB01248'], 'inchi_key': ['IMGVNJNCCGXBHD-UYBVJOGSSA-K'], 'kegg.compound': ['C00016'], 'kegg.drug': ['D00005'], 'metanetx.chemical': ['MNXM33'], 'reactome.compound': ['113596', '29386', '113597'], 'sabiork': ['1270'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00015']}
nad_rNicotinamide adenine dinucleotideC21H26N7O14P2endoplasmic reticulum{'bigg.metabolite': ['nad'], 'biocyc': ['META:NAD'], 'chebi': ['CHEBI:7422', 'CHEBI:44215', 'CHEBI:13394', 'CHEBI:21901', 'CHEBI:57540', 'CHEBI:15846', 'CHEBI:44281', 'CHEBI:44214', 'CHEBI:13393', 'CHEBI:29867'], 'hmdb': ['HMDB00902'], 'inchi_key': ['BAWFJGJZGIEFAR-NNYOXOHSSA-M'], 'kegg.compound': ['C00003'], 'kegg.drug': ['D00002'], 'metanetx.chemical': ['MNXM8'], 'reactome.compound': ['352330', '192307', '194653', '113526', '29360'], 'sabiork': ['37'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00003']}
pi_xPhosphateHO4Pperoxisome/glyoxysome{'bigg.metabolite': ['pi'], 'biocyc': ['META:Pi', 'META:CPD-16459', 'META:PHOSPHATE-GROUP'], 'chebi': ['CHEBI:26078', 'CHEBI:18367', 'CHEBI:29139', 'CHEBI:39739', 'CHEBI:43470', 'CHEBI:35780', 'CHEBI:43474', 'CHEBI:26020', 'CHEBI:45024', 'CHEBI:39745', 'CHEBI:29137', 'CHEBI:14791', 'CHEBI:7793'], 'envipath': ['650babc9-9d68-4b73-9332-11972ca26f7b/compound/db5219ee-60cb-4370-b066-340c9faf069c', '5882df9c-dae1-4d80-a40e-db4724271456/compound/84684967-eade-48d4-b25d-c4aede0a0836', '5882df9c-dae1-4d80-a40e-db4724271456/compound/ad82c39b-2edb-4953-b971-79a2d2ea6e26', '650babc9-9d68-4b73-9332-11972ca26f7b/compound/aac01fea-4223-49c1-8b12-cd50f11ebfc8', '32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/c581b2ce-6238-45de-abc0-60ca8d47ed04'], 'hmdb': ['HMDB02105', 'HMDB00973', 'HMDB01429', 'HMDB02142', 'HMDB05947'], 'inchi_key': ['NBIIXXVUZAFLBC-UHFFFAOYSA-L'], 'kegg.compound': ['C00009'], 'kegg.drug': ['D05467'], 'metanetx.chemical': ['MNXM9'], 'reactome.compound': ['5228339', '113550', '8851513', '113551', '109277', '29372', '8851226', '113548'], 'sabiork': ['36'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd27787', 'cpd00009']}
zym_int2_rZymosterol intermediate 2 C27H42OC27H42Oendoplasmic reticulum{'bigg.metabolite': ['zym_int2'], 'metanetx.chemical': ['MNXM97119'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd15300']}
adp_xADP C10H12N5O10P2C10H12N5O10P2peroxisome/glyoxysome{'bigg.metabolite': ['adp'], 'biocyc': ['META:ADP'], 'chebi': ['CHEBI:2342', 'CHEBI:16761', 'CHEBI:456216', 'CHEBI:40553', 'CHEBI:22244', 'CHEBI:87518', 'CHEBI:13222'], 'hmdb': ['HMDB01341'], 'inchi_key': ['XTWYTFMLZFPYCI-KQYNXXCUSA-K'], 'kegg.compound': ['C00008'], 'kegg.glycan': ['G11113'], 'metanetx.chemical': ['MNXM7'], 'reactome.compound': ['114565', '211606', '114564', '6798177', '5632457', '5696026', '8869360', '29370', '113581', '113582'], 'sabiork': ['35'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00008']}
fadh2_cFlavin adenine dinucleotide reducedC27H33N9O15P2cytosol{'bigg.metabolite': ['fadh2'], 'biocyc': ['META:FADH2'], 'chebi': ['CHEBI:13316', 'CHEBI:42427', 'CHEBI:4957', 'CHEBI:17877', 'CHEBI:58307', 'CHEBI:21126'], 'hmdb': ['HMDB06358', 'HMDB06252', 'HMDB01197'], 'inchi_key': ['YPZRHBJKEMOYQH-UYBVJOGSSA-L'], 'kegg.compound': ['C01352'], 'metanetx.chemical': ['MNXM38'], 'reactome.compound': ['31649', '164934'], 'sabiork': ['2274'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00982']}
nadp_rNicotinamide adenine dinucleotide phosphateC21H25N7O17P3endoplasmic reticulum{'bigg.metabolite': ['nadp'], 'biocyc': ['META:NADP'], 'chebi': ['CHEBI:29868', 'CHEBI:44405', 'CHEBI:25523', 'CHEBI:13397', 'CHEBI:18009', 'CHEBI:7424', 'CHEBI:13398', 'CHEBI:21903', 'CHEBI:58349', 'CHEBI:44409'], 'hmdb': ['HMDB00217'], 'inchi_key': ['XJLXINKUBYWONI-NNYOXOHSSA-K'], 'kegg.compound': ['C00006'], 'metanetx.chemical': ['MNXM5'], 'reactome.compound': ['194668', '113563', '6790191', '5623650', '2000348', '389556', '29366', '351628', '113564'], 'sabiork': ['1263'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00006']}
for_rFormateCH1O2endoplasmic reticulum{'bigg.metabolite': ['for'], 'biocyc': ['META:CPD1G-1532', 'META:CPD1G-1535', 'META:FORMATE', 'META:CPD-9845', 'META:CPD1G-1534', 'META:CARBOXYL-GROUP', 'META:CPD1G-1533'], 'chebi': ['CHEBI:24081', 'CHEBI:30751', 'CHEBI:15740', 'CHEBI:5145', 'CHEBI:42460', 'CHEBI:14276', 'CHEBI:24082'], 'envipath': ['650babc9-9d68-4b73-9332-11972ca26f7b/compound/9a9d20ae-b6ec-40a9-93ca-1de20597b1ed', '32de3cf4-e3e6-4168-956e-32fa5ddb0ce1/compound/09c1ad08-016e-4477-8840-b97a031eae23', '4fd7f3e0-dd25-43ac-9453-dda3e52396e4/compound/bf16ab32-cb3c-4427-a65a-089ab754823e', '5882df9c-dae1-4d80-a40e-db4724271456/compound/34fe3cd9-9b0b-46b0-a1c5-8a66509f1919', '650babc9-9d68-4b73-9332-11972ca26f7b/compound/1d077cf2-3f9f-4163-aa49-0fca1b2b3ab3'], 'hmdb': ['HMDB00142'], 'inchi_key': ['BDAGIHXWWSANSR-UHFFFAOYSA-M'], 'kegg.compound': ['C00058'], 'metanetx.chemical': ['MNXM39'], 'reactome.compound': ['29460', '194712', '389585', '6801451'], 'sabiork': ['1285'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00047', 'cpd22511']}
5dpmev_x R 5 Diphosphomevalonate C6H10O10P2C6H10O10P2peroxisome/glyoxysome{'bigg.metabolite': ['5dpmev'], 'biocyc': ['META:CPD-641'], 'chebi': ['CHEBI:332', 'CHEBI:57557', 'CHEBI:18674', 'CHEBI:10989', 'CHEBI:15899'], 'hmdb': ['HMDB01090'], 'inchi_key': ['SIGQQUBJQXSAMW-ZCFIWIBFSA-J'], 'kegg.compound': ['C01143'], 'lipidmaps': ['LMFA01050416'], 'metanetx.chemical': ['MNXM689'], 'reactome.compound': ['191403'], 'sabiork': ['5408'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00841']}
44mctr_r4 4 dimethylcholesta 8 14 24 trienol C29H46OC29H46Oendoplasmic reticulum{'bigg.metabolite': ['44mctr'], 'metanetx.chemical': ['MNXM97101'], 'sbo': 'SBO:0000247'}
zymst_rZymosterol C27H44OC27H44Oendoplasmic reticulum{'bigg.metabolite': ['zymst'], 'biocyc': ['META:ZYMOSTEROL'], 'chebi': ['CHEBI:20646', 'CHEBI:18252', 'CHEBI:12172', 'CHEBI:10131', 'CHEBI:27370'], 'hmdb': ['HMDB06271'], 'inchi_key': ['CGSJXLIKVBJVRY-XTGBIJOFSA-N'], 'kegg.compound': ['C05437'], 'lipidmaps': ['LMST01010066'], 'metanetx.chemical': ['MNXM574'], 'reactome.compound': ['194691'], 'sabiork': ['7910'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd03221'], 'slm': ['000000319']}
44mzym_r4 4 dimethylzymosterol C29H48OC29H48Oendoplasmic reticulum{'bigg.metabolite': ['44mzym'], 'metanetx.chemical': ['MNXM146507'], 'sbo': 'SBO:0000247'}
h_rH+Hendoplasmic reticulum{'bigg.metabolite': ['h'], 'biocyc': ['META:PROTON'], 'chebi': ['CHEBI:5584', 'CHEBI:13357', 'CHEBI:15378', 'CHEBI:10744'], 'hmdb': ['HMDB59597'], 'inchi_key': ['GPRLSGONYQIRFK-UHFFFAOYSA-N'], 'kegg.compound': ['C00080'], 'metanetx.chemical': ['MNXM1'], 'reactome.compound': ['2000349', '425978', '74722', '428040', '427899', '428548', '156540', '70106', '425969', '1132304', '5668577', '1470067', '163953', '193465', '113529', '351626', '425999', '194688', '374900', '2872447', '372511'], 'sabiork': ['39'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00067']}
ppi_rDiphosphateHO7P2endoplasmic reticulum{'bigg.metabolite': ['ppi'], 'biocyc': ['META:PYROPHOSPHATE-GROUP', 'META:PPI'], 'chebi': ['CHEBI:45212', 'CHEBI:45208', 'CHEBI:8683', 'CHEBI:45067', 'CHEBI:33018', 'CHEBI:29888', 'CHEBI:33017', 'CHEBI:33019', 'CHEBI:42009', 'CHEBI:13420', 'CHEBI:18361'], 'hmdb': ['HMDB00250'], 'inchi_key': ['XPPKVPWEQAFLFU-UHFFFAOYSA-K'], 'kegg.compound': ['C00013'], 'metanetx.chemical': ['MNXM11'], 'reactome.compound': ['159450', '113542', '8878981', '389593', '113541', '8938078', '111294', '2046049', '6806656', '1132084'], 'sabiork': ['1267'], 'sbo': 'SBO:0000247', 'seed.compound': ['cpd00012', 'cpd27828']}