7alpha,24-dihydroxycholest-4-en-3-one (CHEBI:48701)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48701 - 7α,24-dihydroxycholest-4-en-3-one

Take structure to advanced search

ChEBI ID	CHEBI:48701
ChEBI Name	7α,24-dihydroxycholest-4-en-3-one
Stars
ASCII Name	7alpha,24-dihydroxycholest-4-en-3-one
Last Modified	4 May 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C27H44O3
Net Charge	0
Average Mass	416.646
Monoisotopic Mass	416.32905
SMILES	[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(O)C(C)C)[C@]1([H])[C@H](O)CC1=CC(=O)CC[C@@]12C
InChI	InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h14,16-17,20-25,29-30H,6-13,15H2,1-5H3/t17-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1
InChIKey	LFFHZNXDGBQZCO-XGEBBOSUSA-N

Roles Classification

Biological Role:

bile acid metabolite Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway.

ChEBI Ontology

Outgoing Relation(s)
	7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) has role bile acid metabolite (CHEBI:48887)
	7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a 24-hydroxy steroid (CHEBI:36865)
	7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a 3-oxo-Δ⁴ steroid (CHEBI:47909)
	7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a 7α-hydroxy steroid (CHEBI:36843)
	7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701) is a cholestanoid (CHEBI:50401)
Incoming Relation(s)
Incoming Relation(s)	(24S)-7α,24-dihydroxycholest-4-en-3-one (CHEBI:63838) is a 7α,24-dihydroxycholest-4-en-3-one (CHEBI:48701)

IUPAC Name
7α,24-dihydroxycholest-4-en-3-one

Synonym	Source
4-cholesten-7α,24-diol-3-one	ChEBI

Manual Xrefs	Databases
C17331	KEGG COMPOUND