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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole

	Properties	Image
MNX_ID	MNXM729415
reference	chebi:77260
formula	C₁₇H₁₉N₃O₃S
global charge	0
mol weight	345.424
InChIKey	SUBDBMMJDZJVOS-UHFFFAOYSA-N
InChI	InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
SMILES	COC1=CC2=C(C=C1)NC(S(=O)CC1=NC=C(C)C(OC)=C1C)=N2

MNX internals

InChI (mnx)	InChI=1/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)/t24?
SMILES (mnx)	[CH3:1][C:10]1=[CH:8][N:18]=[C:15]([CH2:9][S:24]([C:17]2=[N:19][C:13]3=[C:14]([CH:7]=[C:12]([O:22][CH3:3])[CH:5]=[CH:6]3)[NH:20]2)=[O:21])[C:11]([CH3:2])=[C:16]1[O:23][CH3:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77260 chebi:77260 SUBDBMMJDZJVOS-UHFFFAOYSA-N	5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole
CHEBI:91766 chebi:91766 SUBDBMMJDZJVOS-UHFFFAOYSA-N	6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
seed.compound:cpd04529 seedM:cpd04529 sabiork.compound:9435 sabiorkM:9435 kegg.compound:C07324 keggC:C07324 SUBDBMMJDZJVOS-UHFFFAOYSA-N	Omeprazole
kegg.drug:D00455 keggD:D00455 SUBDBMMJDZJVOS-UHFFFAOYSA-N	Omeprazole (JP18/USP/INN) Prilosec (TN)
bigg.metabolite:omeprazole biggM:omeprazole SUBDBMMJDZJVOS-UHFFFAOYSA-N	Omeprazole c
hmdb:HMDB0001913 SUBDBMMJDZJVOS-UHFFFAOYSA-N	Omeprazole ( -)-Omeprazole (-)-Omeprazole (S)-(-)-Omeprazole (S)-Omeprazole 2,3,5-Trimethylpyridine/Omeprazole 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole Antra Antra mups Audazol Aulcer Belmazol Ceprandal Danlox Demeprazol Desec Dizprazol Dudencer Elgam Emeproton Epirazole Erbolin Esomeprazole Esomperazole Exter Gasec Gastrimut Gastroloc Gibancer Indurgan Inhibitron Inhipump Lensor Logastric Lomac Losec Magnesium, omeprazole Mepral Miol Miracid Mopral Morecon Nexiam Nexium Nexium IV Nilsec Nopramin Nuclosina OMEP OMZ Ocid Olexin Omapren Omebeta 20 Omed Omegast Omepradex Omepral Omeprazol Omeprazole magnesium Omeprazole pellets Omeprazole sodium Omeprazolum Omeprazon Omeprol Omesek Omez Omezol Omezolan Omid Omisec Omizac Ompanyt Ortanol Osiren Ozoken Paprazol Parizac Pepticum Pepticus Peptilcer Prazentol Prazidec Prazolit Prestwick_808 Prilosec Prilosec otc Procelac Proclor Prysma Ramezol Regulacid Result Sanamidol Secrepina Sodium, omeprazole Tedec ulceral Ulceral Ulcesep Ulcometion Ulcozol Ulcsep Ulsen Ultop Ulzol Victrix Zefxon Zegerid Zepral Zimor Zoltum omeprazole
envipath:...aec4326df5b7 envipathM:...aec4326df5b7 SUBDBMMJDZJVOS-UHFFFAOYSA-N	compound 0054980
vmhM:omeprazole vmhmetabolite:omeprazole SUBDBMMJDZJVOS-UHFFFAOYSA-N	omeprazole 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazole
hmdb:HMDB01913 biggM:M_omeprazole keggC:M_C07324 keggD:M_D00455 seedM:M_cpd04529 vmhM:M_omeprazole	secondary/obsolete/fantasy identifier