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CHEBI:71567 - (25S)-cholestenoate

ChEBI IDCHEBI:71567
ChEBI Name(25S)-cholestenoate
Stars
ASCII Name(25S)-cholestenoate
DefinitionA steroid acid anion that is the conjugate base of (25S)-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 August 2021
SubmitterAlan Bridge
DownloadsMolfile
FormulaC27H43O3
Net Charge-1
Average Mass415.638
Monoisotopic Mass415.32177
SMILES[H][C@@]12CC=C3C[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/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,17-18,20-24,28H,5-7,9-16H2,1-4H3,(H,29,30)/p-1/t17-,18+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKeyWVXOMPRLWLXFAP-DDMWTQRYSA-M
ChEBI Ontology
Outgoing Relation(s)
(25S)-cholestenoate (CHEBI:71567) is a 3β-hydroxycholest-5-en-26-oate (CHEBI:84146)
(25S)-cholestenoate (CHEBI:71567) is conjugate base of (25S)-cholestenoic acid (CHEBI:71616)
Incoming Relation(s)
(25S)-cholestenoic acid (CHEBI:71616) is conjugate acid of (25S)-cholestenoate (CHEBI:71567)
IUPAC Name 
(25S)-3β-hydroxycholest-5-en-26-oate
Synonym  Source
(3β,25S)-3-hydroxycholest-5-en-26-oateIUPAC
UniProt Name  Source
(25S)-3β-hydroxy-5-cholestenoateUniProt
Citations