(25R)-3beta,26-dihydroxycholest-5-en-7-one (CHEBI:87653)

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CHEBI:87653 - (25R)-3β,26-dihydroxycholest-5-en-7-one

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ChEBI ID	CHEBI:87653
ChEBI Name	(25R)-3β,26-dihydroxycholest-5-en-7-one
Stars
ASCII Name	(25R)-3beta,26-dihydroxycholest-5-en-7-one
Definition	An oxysterol that is 7-ketocholesterol which is substituted by a hydroxy group at position 26 and has R-configuration at position 25.
Last Modified	25 April 2017
Submitter	nhn
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[C@@H](C)CO)[C@]1([H])C(=O)C=C1C[C@@H](O)CC[C@@]12C
InChI	InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-23,25,28-29H,5-14,16H2,1-4H3/t17-,18-,20+,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey	LFNAJBFFWWMSEW-HNFKANRHSA-N

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

Roles Classification

Biological Role:

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

ChEBI Ontology

Outgoing Relation(s)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) has functional parent cholesterol (CHEBI:16113)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) has role human xenobiotic metabolite (CHEBI:76967)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 26-hydroxy steroid (CHEBI:36852)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 3β-hydroxy-Δ⁵-steroid (CHEBI:1722)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 3β-sterol (CHEBI:35348)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a 7-oxo steroid (CHEBI:47789)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a cholestanoid (CHEBI:50401)
	(25R)-3β,26-dihydroxycholest-5-en-7-one (CHEBI:87653) is a oxysterol (CHEBI:53030)

IUPAC Name
(25R)-3β,26-dihydroxycholest-5-en-7-one

Synonyms	Source
(25R)-7-ketocholest-5-en-3β,27-diol	ChEBI
(25R)-7-oxocholest-5-en-3β,27-diol	SUBMITTER
(3β,25R)-3,26-dihydroxycholest-5-en-7-one	IUPAC

UniProt Name	Source
(25R)-3β,26-dihydroxycholest-5-en-7-one	UniProt

Registry Numbers	Sources
Reaxys:8368987	Reaxys

Citations