7alpha,12alpha-dihydroxycholest-4-en-3-one (CHEBI:28477)

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CHEBI:28477 - 7α,12α-dihydroxycholest-4-en-3-one

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ChEBI ID	CHEBI:28477
ChEBI Name	7α,12α-dihydroxycholest-4-en-3-one
Stars
ASCII Name	7alpha,12alpha-dihydroxycholest-4-en-3-one
Secondary ChEBI IDs	CHEBI:2289, CHEBI:20797
Last Modified	14 May 2024
Downloads	Molfile

Formula	C27H44O3
Net Charge	0
Average Mass	416.646
Monoisotopic Mass	416.32905
SMILES	[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])[C@H](O)CC2=CC(=O)CC[C@@]21C
InChI	InChI=1S/C27H44O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey	UQPYXHJTHPHOMM-NIBOIBLTSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Roles:

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

mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) has role human metabolite (CHEBI:77746)
	7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) has role mouse metabolite (CHEBI:75771)
	7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 12α-hydroxy steroid (CHEBI:36846)
	7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 3-oxo-Δ⁴ steroid (CHEBI:47909)
	7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a 7α-hydroxy steroid (CHEBI:36843)
	7α,12α-dihydroxycholest-4-en-3-one (CHEBI:28477) is a cholestanoid (CHEBI:50401)

IUPAC Name
7α,12α-dihydroxycholest-4-en-3-one

Synonyms	Source
7alpha,12alpha-Dihydroxycholest-4-en-3-one	KEGG COMPOUND
4-cholesten-7α,12α-diol-3-one	ChEBI
7alpha,12alpha-Dihydroxy-4-cholesten-3-one	KEGG COMPOUND

UniProt Name	Source
7α,12α-dihydroxycholest-4-en-3-one	UniProt

Manual Xrefs	Databases
LMST04030114	LIPID MAPS
C17339	KEGG COMPOUND

Registry Numbers	Sources
CAS:1254-03-1	KEGG COMPOUND

Citations