Search MNXref
SystemsX.ch
The Swiss Initiative in Systems Biology
 Feedback

5'-O-Desmethyl omeprazole

PropertiesImageOccurences in reactions
MNX_IDMNXM118067Image of MNXM118067
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC16H17N3O3S
charge0
mass331.09906
referencechebi:169791
InChIKeyTWXDTVZNDQKCOS-UHFFFAOYSA-N
InChIInChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)22-3)8-23(21)16-18-12-5-4-11(20)6-13(12)19-16/h4-7,20H,8H2,1-3H3,(H,18,19)
SMILESCOc1c(C)cnc(CS(=O)c2nc3ccc(O)cc3[nH]2)c1C
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:169791
chebi:169791 		5'-O-Desmethyl omeprazole
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulinyl]-3H-benzimidazol-5-ol
hmdb:HMDB0014011 5'-O-Desmethyl omeprazole
2-[(4-Methoxy-3,5-dimethylpyridin-2-yl)methanesulphinyl]-1H-1,3-benzodiazol-6-ol
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-1H-1,3-benzodiazol-6-ol
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methanesulfinyl]-3H-1,3-benzodiazol-5-ol
envipath:...b762d0ba9b06
envipathM:...b762d0ba9b06 		compound 0054985
hmdb:HMDB14011 secondary/obsolete/fantasy identifier