(25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87783 - (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:87783
ChEBI Name	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid
Stars
ASCII Name	(25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid
Definition	A cholestanoid resulting from the oxidation of (25R)-3β,26-dihydroxycholest-5-en-7-one to the corresponding carboxylic acid.
Last Modified	25 April 2017
Submitter	Steve
Downloads	Molfile

Formula	C27H42O4
Net Charge	0
Average Mass	430.629
Monoisotopic Mass	430.30831
SMILES	[H][C@]12CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC[C@@H](C)C(=O)O)[C@]1([H])C(=O)C=C1C[C@@H](O)CC[C@@]12C
InChI	InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h15-17,19-22,24,28H,5-14H2,1-4H3,(H,30,31)/t16-,17-,19+,20-,21+,22+,24+,26+,27-/m1/s1
InChIKey	QOEPZHFZXUROGV-BXDHRDAUSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (21411718)

Roles Classification

Chemical Role:	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology

Outgoing Relation(s)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) has functional parent cholesterol (CHEBI:16113)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) has role human xenobiotic metabolite (CHEBI:76967)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a 3β-hydroxy-Δ⁵-steroid (CHEBI:1722)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a 3β-sterol (CHEBI:35348)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a 7-oxo steroid (CHEBI:47789)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a cholestanoid (CHEBI:50401)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a monocarboxylic acid (CHEBI:25384)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a oxysterol (CHEBI:53030)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is a steroid acid (CHEBI:47891)
	(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783) is conjugate acid of (25R)-3β-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678)
Incoming Relation(s)
Incoming Relation(s)	(25R)-3β-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678) is conjugate base of (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid (CHEBI:87783)

IUPAC Name
(25R)-3β-hydroxycholest-5-en-7-one-26-oic acid

Synonym	Source
(3β,25R)-3-hydroxy-7-oxocholest-5-en-26-oic acid	IUPAC

Registry Numbers	Sources
Reaxys:22179398	Reaxys

Citations