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9(11),(5beta)-Cholenic acid-3alpha-ol-12-one

Properties

Image

Occurences in reactions

MNX_ID

MNXM24939

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

formula

C₂₄H₃₆O₄

charge

mass

388.26136

reference

chebi:166725

InChIKey

RMEZJKHOZLUOHB-OZEXFWQTSA-N

InChI

InChI=1S/C24H36O4/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/h13-19,25H,4-12H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,23+,24-/m1/s1

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=CC(=O)[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:166725 chebi:166725	9(11),(5beta)-Cholenic acid-3alpha-ol-12-one (4R)-4-[(3R,5R,8S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
lipidmaps:LMST04010237 lipidmapsM:LMST04010237	3alpha-Hydroxy-12-oxo-5beta-chol-9(11)-en-24-oic Acid O4 ST 24:3