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3,6-Diketocholanic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM26016

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

formula

C₂₄H₃₆O₄

charge

mass

388.26136

reference

chebi:166706

InChIKey

AWINBLVINXVKTE-FSILYXOFSA-N

InChI

InChI=1S/C24H36O4/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/h14,16-20H,4-13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,20+,23-,24-/m1/s1

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[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:166706 chebi:166706	3,6-Diketocholanic acid (4R)-4-[(5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,6-dioxo-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
lipidmaps:LMST04010134 lipidmapsM:LMST04010134	3,6-Dioxo-5beta-cholan-24-oic Acid O4 ST 24:3