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misoprostol acid

Properties Image MNX_ID MNXM1595515 reference vmhM:misoa vmhM:misoa formula C21H35O5 global charge -1 mol weight 367.506 InChIKey CNWGPXZGIIOYDL-MKYGPDKMSA-M InChI InChI=1S/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/p-1/b11-9+/t16-,17-,19-,21?/m1/s1 SMILES CCCCC(C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C21H36O5/c1-3-4-13-21(2,26)14-9-11-17-16(18(22)15-19(17)23)10-7-5-6-8-12-20(24)25/h9,11,16-17,19,23,26H,3-8,10,12-15H2,1-2H3,(H,24,25)/b11-9+/t16-,17-,19-,21?/m1/s1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:13][C:21]([CH3:2])([CH2:14]/[CH:9]=[CH:11]/[C@@H:17]1[C@@H:16]([CH2:10][CH2:7][CH2:5][CH2:6][CH2:8][CH2:12][C:20]([OH:24])=[O:25])[C:18](=[O:22])[CH2:15][C@H:19]1[OH:23])[OH:26]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
vmhM:misoa vmhM:misoa vmhmetabolite:misoa vmhmetabolite:misoa CNWGPXZGIIOYDL-MKYGPDKMSA-M	misoprostol acid
vmhM:M_misoa	secondary/obsolete/fantasy identifier