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

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ChEBI Name (25R)-3β,4β-dihydroxycholest-5-en-26-oate(1−)
ChEBI ID CHEBI:86116
ChEBI ASCII Name (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H43O4
Net Charge -1
Average Mass 431.62850
Monoisotopic Mass 431.31668
InChI InChI=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
InChIKey YKGKKDOYGJEANO-ZOQSZFPJSA-M
SMILES C[C@H](CCC[C@@H](C)C([O-])=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(25R)-3β,4β-dihydroxycholest-5-en-26-oate UniProt
Citation Waiting for Citations Type Source
12077124 PubMed citation SUBMITTER
Last Modified
13 July 2015