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1alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM26387

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

formula

C₂₄H₃₈O₄

charge

mass

390.27701

reference

chebi:173163

InChIKey

CXKBELIUTOXJMR-ZVTQFMQASA-N

InChI

InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)13-21(26)24(15,3)20(17)10-11-23(18,19)2/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)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:173163 chebi:173163	1alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid (4R)-4-[(1S,5R,8S,9S,10S,13R,14S,17R)-1-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:LMST04010258 lipidmapsM:LMST04010258	1alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid O4 ST 24:2