CHEBI:16466 - 3α,7α,12α-trihydroxy-5β-cholestan-26-al

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ChEBI Name 3α,7α,12α-trihydroxy-5β-cholestan-26-al
ChEBI ID CHEBI:16466
ChEBI ASCII Name 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
Definition A cholestanoid that is 5β-cholestan-26-al substituted by hydroxy groups at positions 3, 7 and 12 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:1696, CHEBI:20218, CHEBI:11896
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C27H46O4
Net Charge 0
Average Mass 434.661
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-XZULNKEGSA-N
SMILES [H]C(=O)C(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
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) has parent hydride 5β-cholestane (CHEBI:35517)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) has role human metabolite (CHEBI:77746)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) is a 12α-hydroxy steroid (CHEBI:36846)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) is a 26-oxo steroid (CHEBI:36884)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) is a 3α-hydroxy steroid (CHEBI:36835)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) is a 7α-hydroxy steroid (CHEBI:36843)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) is a cholestanoid (CHEBI:50401)
3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466) is a steroid aldehyde (CHEBI:131565)
Incoming (25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:48940) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466)
(25S)-3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:48941) is a 3α,7α,12α-trihydroxy-5β-cholestan-26-al (CHEBI:16466)
IUPAC Name
3α,7α,12α-trihydroxy-5β-cholestan-26-al
Synonyms Sources
(3α,5β,7α,12α)-3,7,12-trihydroxycholestan-26-al ChemIDplus
3,7,12-trihydroxycholestan-26-al ChemIDplus
3α,7α,12α-trihydroxy-5β-cholestan-26-al UniProt
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al ChEBI
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al KEGG COMPOUND
Manual Xrefs Databases
C01301 KEGG COMPOUND
LMST04030164 LIPID MAPS
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Registry Number Type Source
3836-01-9 CAS Registry Number ChemIDplus
Last Modified
22 October 2024