CHEBI:48044 - (25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid
ChEBI ID CHEBI:48044
ChEBI ASCII Name (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H46O5
Net Charge 0
Average Mass 450.65114
Monoisotopic Mass 450.33452
InChI InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16+,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey CNWPIIOQKZNXBB-TVOMGIAASA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[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): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48044) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid (CHEBI:18402)
IUPAC Name
(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-oic acid
Synonym Source
(3α,5β,7α,12α,25S)-3,7,12-trihydroxycholestan-26-oic acid ChEBI
Registry Number Type Source
3224558 Beilstein Registry Number Beilstein
Last Modified
17 December 2007