CHEBI:71616 - (25S)-cholestenoic acid

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ChEBI Name (25S)-cholestenoic acid
ChEBI ID CHEBI:71616
ChEBI ASCII Name (25S)-cholestenoic acid
Definition A cholestanoid that is (25S)-cholest-5-en-26-oic acid bearing a 3β-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O3
Net Charge 0
Average Mass 416.63650
Monoisotopic Mass 416.32905
InChI InChI=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)/t17-,18+,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey WVXOMPRLWLXFAP-DDMWTQRYSA-N
SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC[C@H](C)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via 3beta-hydroxycholest-5-en-26-oic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25S)-cholestenoic acid (CHEBI:71616) is a 3β-hydroxycholest-5-en-26-oic acid (CHEBI:81014)
(25S)-cholestenoic acid (CHEBI:71616) is conjugate acid of (25S)-cholestenoate (CHEBI:71567)
Incoming (25S)-3β-hydroxy-5-cholesten-26-oyl-CoA (CHEBI:84576) has functional parent (25S)-cholestenoic acid (CHEBI:71616)
(25S)-cholestenoate (CHEBI:71567) is conjugate base of (25S)-cholestenoic acid (CHEBI:71616)
IUPAC Name
(25S)-3β-hydroxycholest-5-en-26-oic acid
Synonym Source
(3β,25S)-3-hydroxycholest-5-en-26-oic acid ChEBI
Manual Xrefs Databases
8177572 ChemSpider
LMST04030219 LIPID MAPS
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Registry Number Type Source
10043380 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16913876 PubMed citation Europe PMC
19005586 PubMed citation Europe PMC
Last Modified
12 August 2021