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CHEBI:87678 - (25R)-3β-hydroxycholest-5-en-7-one-26-oate

ChEBI IDCHEBI:87678
ChEBI Name(25R)-3β-hydroxycholest-5-en-7-one-26-oate
Stars
ASCII Name(25R)-3beta-hydroxycholest-5-en-7-one-26-oate
DefinitionA steroid acid anion that is the conjugate base of (25R)-3β-hydroxycholest-5-en-7-one-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified4 September 2015
Submitternhn
DownloadsMolfile
FormulaC27H41O4
Net Charge-1
Average Mass429.621
Monoisotopic Mass429.30103
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
InChIInChI=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)/p-1/t16-,17-,19+,20-,21+,22+,24+,26+,27-/m1/s1
InChIKeyQOEPZHFZXUROGV-BXDHRDAUSA-M
Species of MetaboliteComponentSourceComments
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-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678) has role human xenobiotic metabolite (CHEBI:76967)
(25R)-3β-hydroxycholest-5-en-7-one-26-oate (CHEBI:87678) is a steroid acid anion (CHEBI:50160)
(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)
Incoming Relation(s)
(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)
IUPAC Name 
(25R)-3β-hydroxycholest-5-en-7-one-26-oate
Synonym  Source
(3β,25R)-3-hydroxy-7-oxocholest-5-en-26-oateIUPAC
UniProt Name  Source
(25R)-3β-hydroxycholest-5-en-7-one-26-oateUniProt
Citations