3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al (CHEBI:16466)

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

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ChEBI ID	CHEBI:16466
ChEBI Name	3α,7α,12α-trihydroxy-5β-cholestan-26-al
Stars
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.
Secondary ChEBI IDs	CHEBI:1696, CHEBI:11896, CHEBI:20218
Last Modified	22 October 2024
Downloads	Molfile

Formula	C27H46O4
Net Charge	0
Average Mass	434.661
Monoisotopic Mass	434.33961
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@@]21C
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)

Roles Classification

Biological Role:

human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	(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	Source
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al	KEGG COMPOUND
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al	ChEBI
3,7,12-trihydroxycholestan-26-al	ChemIDplus
(3α,5β,7α,12α)-3,7,12-trihydroxycholestan-26-al	ChemIDplus

UniProt Name	Source
3α,7α,12α-trihydroxy-5β-cholestan-26-al	UniProt

Manual Xrefs	Databases
C01301	KEGG COMPOUND
LMST04030164	LIPID MAPS

Registry Numbers	Sources
CAS:3836-01-9	ChemIDplus
CAS:3836-01-9	KEGG COMPOUND