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12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM28344

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

formula

C₂₄H₃₈O₄

charge

mass

390.27701

reference

chebi:166700

InChIKey

WMUMZOAFCDOTRW-RXTDITKTSA-N

InChI

InChI=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

SMILES

C[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@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166700 chebi:166700	12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid (4R)-4-[(5R,8R,9S,10S,12R,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
lipidmaps:LMST04010157 lipidmapsM:LMST04010157	12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid O4 ST 24:2