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5'-hydroxyomeprazole

Properties

Image

Occurences in reactions

MNX_ID

MNXM10267

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

formula

C₁₇H₁₉N₃O₄S

charge

mass

361.10963

reference

chebi:63840

InChIKey

CMZHQFXXAAIBKE-UHFFFAOYSA-N

InChI

InChI=1S/C17H19N3O4S/c1-10-15(18-7-11(8-21)16(10)24-3)9-25(22)17-19-13-5-4-12(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)

SMILES

COc1ccc2[nH]c(S(=O)Cc3ncc(CO)c(OC)c3C)nc2c1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-211944 reactomeM:R-ALL-211944 CHEBI:63840 chebi:63840	5'-hydroxyomeprazole (4-methoxy-6-{[(5-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole Hydroxyomeprazole
hmdb:HMDB0014010	5-Hydroxyomeprazole (4-methoxy-6-{[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol 5-Hydroxy omeprazole 5-Hydroxymethylomeprazole 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulphinyl)-1H-benzimidazole Hydroxyomeprazole {4-methoxy-6-[(5-methoxy-3H-1,3-benzodiazol-2-ylsulfinyl)methyl]-5-methylpyridin-3-yl}methanol
hmdb:HMDB0061091	5-hydroxyesomeprazole (4-methoxy-6-{[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfinyl]methyl}-5-methylpyridin-3-yl)methanol 5-Hydroxy omeprazole 5-Hydroxymethylomeprazole 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulfinyl)-1H-benzimidazole 5-Methoxy-2-(((4-methoxy-3-methyl-5-hydroxymethyl-2-pyridinyl)methyl)sulphinyl)-1H-benzimidazole Hydroxyomeprazole {4-methoxy-6-[(5-methoxy-3H-1,3-benzodiazol-2-ylsulfinyl)methyl]-5-methylpyridin-3-yl}methanol
bigg.metabolite:5homeprazole biggM:5homeprazole	5homeprazole c
envipath:...e65400d9e217 envipathM:...e65400d9e217	compound 0054987
hmdb:HMDB14010 hmdb:HMDB61091 biggM:M_5homeprazole	secondary/obsolete/fantasy identifier