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CHEBI:86116 - (25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−)

ChEBI IDCHEBI:86116
ChEBI Name(25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−)
Stars
ASCII Name(25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)
DefinitionA steroid acid anion that is the conjugate base of (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified13 July 2015
Submitternhn
DownloadsMolfile
FormulaC27H43O4
Net Charge-1
Average Mass431.637
Monoisotopic Mass431.31668
SMILES[H][C@@]12CC=C3[C@@H](O)[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCC[C@@H](C)C(=O)[O-]
InChIInChI=1S/C27H44O4/c1-16(6-5-7-17(2)25(30)31)19-10-11-20-18-8-9-22-24(29)23(28)13-15-27(22,4)21(18)12-14-26(19,20)3/h9,16-21,23-24,28-29H,5-8,10-15H2,1-4H3,(H,30,31)/p-1/t16-,17-,18+,19-,20+,21+,23+,24-,26-,27-/m1/s1
InChIKeyYKGKKDOYGJEANO-ZOQSZFPJSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12077124)
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,4β-dihydroxycholest-5-en-26-oate(1−) (CHEBI:86116) has role human xenobiotic metabolite (CHEBI:76967)
(25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−) (CHEBI:86116) is a steroid acid anion (CHEBI:50160)
(25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−) (CHEBI:86116) is conjugate base of (25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434)
Incoming Relation(s)
(25R)-3β,4β-dihydroxycholest-5-en-26-oic acid (CHEBI:86434) is conjugate acid of (25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−) (CHEBI:86116)
IUPAC Name 
(3β,4β,25R)-3,4-dihydroxycholest-5-en-26-oate
UniProt Name  Source
(25R)-3β,4β-dihydroxycholest-5-en-26-oateUniProt
Citations