12-ketolithocholic acid (CHEBI:139134)

CHEBI:139134 - 12-ketolithocholic acid

Formula	C24H38O4
Net Charge	0
Average Mass	390.564
Monoisotopic Mass	390.27701
SMILES	[H][C@]12CC[C@]3([H])[C@]([H])(CC(=O)[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@]([H])(C)CCC(=O)O)[C@@]1(C)CC[C@@H](O)C2
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/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,23+,24-/m1/s1
InChIKey	CVNYHSDFZXHMMJ-VPUMZWJWSA-N

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	12-ketolithocholic acid (CHEBI:139134) is a bile acid (CHEBI:3098)

Synonym	Source
12-Ketodeoxycholic acid	HMDB