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3beta-Hydroxy-6-oxo-5beta-cholan-24-oic Acid

PropertiesImage
MNX_IDMNXM28499 Image of MNXM28499
referencechebi:173187
formulaC24H38O4
global charge0
mol weight390.564
InChIKeyJWZBXKZZDYMDCJ-WSMXITNFSA-N
InChIInChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,23-,24-/m1/s1
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MNX internals
InChI (mnx)InChI=1/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16+,17-,18+,19+,20+,23-,24-/m1/s1 Image of MNXM28499
SMILES (mnx)[CH3:1][C@H:14]([CH2:4][CH2:7][C:22](=[O:27])[OH:28])[C@H:17]1[CH2:5][CH2:6][C@H:18]2[C@@H:16]3[CH2:13][C:21](=[O:26])[C@@H:20]4[CH2:12][C@@H:15]([OH:25])[CH2:8][CH2:10][C@:24]4([CH3:3])[C@H:19]3[CH2:9][CH2:11][C@:23]12[CH3:2]
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:173187
chebi:173187
JWZBXKZZDYMDCJ-WSMXITNFSA-N 		3beta-Hydroxy-6-oxo-5beta-cholan-24-oic Acid
(4R)-4-[(3S,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

lipidmaps:LMST04010147
lipidmapsM:LMST04010147
JWZBXKZZDYMDCJ-WSMXITNFSA-N 		3beta-Hydroxy-6-oxo-5beta-cholan-24-oic Acid
O4
ST 24:2