CHEBI:48940 - (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al

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ChEBI Name (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al
ChEBI ID CHEBI:48940
ChEBI ASCII Name (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
Definition The (25R)-diastereomer of 3α,7α,12α-trihydroxy-5β-cholestan-26-al.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H46O4
Net Charge 0
Average Mass 434.65174
Monoisotopic Mass 434.33961
InChI InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey USFJGINJGUIFSY-IUFSEJPUSA-N
SMILES [H]C(=O)[C@H](C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C
Roles Classification
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-al )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:48940) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466)
IUPAC Name
(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al
Synonym Source
(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al UniProt
Registry Number Type Source
5620906 Beilstein Registry Number Beilstein
Last Modified
20 April 2015