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12alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM26402 Image of MNXM26402
referencechebi:196612
formulaC24H38O4
global charge0
mol weight390.564
InChIKeyWMUMZOAFCDOTRW-QKNMYQEKSA-N
InChIInChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17+,18-,19+,20+,21+,23+,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17+,18-,19+,20+,21+,23+,24-/m1/s1 Image of MNXM26402
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:9][C:22](=[O:27])[OH:28])[C@H:18]1[CH2:7][CH2:8][C@H:19]2[C@@H:17]3[CH2:6][CH2:5][C@H:15]4[CH2:12][C:16](=[O:25])[CH2:10][CH2:11][C@:23]4([CH3:2])[C@H:20]3[CH2:13][C@H:21]([OH:26])[C@:24]12[CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:196612
chebi:196612
WMUMZOAFCDOTRW-QKNMYQEKSA-N 		12alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid
(4R)-4-[(5S,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

CHEBI:225093
chebi:225093
WMUMZOAFCDOTRW-AWTZCYDRSA-N 		12alpha-Hydroxy-3-ketocholanic acid
(4R)-4-[(10S,12S,13R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010169
lipidmapsM:LMST04010169
WMUMZOAFCDOTRW-QKNMYQEKSA-N 		12alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid
O4
ST 24:2