5beta-dihydrocorticosterone (CHEBI:86381)

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CHEBI:86381 - 5β-dihydrocorticosterone

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ChEBI ID	CHEBI:86381
ChEBI Name	5β-dihydrocorticosterone
Stars
ASCII Name	5beta-dihydrocorticosterone
Definition	A 3-oxo-5β-steroid formed from corticosterone by reduction across the C4-C5 double bond.
Secondary ChEBI ID	CHEBI:735
Last Modified	6 February 2018
Submitter	nhn
Downloads	Molfile

Formula	C21H32O4
Net Charge	0
Average Mass	348.483
Monoisotopic Mass	348.23006
SMILES	[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(=O)CO)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]1(C)CCC(=O)C2
InChI	InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14+,15+,16-,17+,19-,20+,21+/m1/s1
InChIKey	CTTOFMJLOGMZRN-BBWLNIHDSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (21255593)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Biological Roles:

human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

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

ChEBI Ontology

Outgoing Relation(s)
	5β-dihydrocorticosterone (CHEBI:86381) has functional parent corticosterone (CHEBI:16827)
	5β-dihydrocorticosterone (CHEBI:86381) has parent hydride pregnane (CHEBI:8386)
	5β-dihydrocorticosterone (CHEBI:86381) has role human xenobiotic metabolite (CHEBI:76967)
	5β-dihydrocorticosterone (CHEBI:86381) has role mouse metabolite (CHEBI:75771)
	5β-dihydrocorticosterone (CHEBI:86381) is a 11β-hydroxy steroid (CHEBI:35346)
	5β-dihydrocorticosterone (CHEBI:86381) is a 20-oxo steroid (CHEBI:36885)
	5β-dihydrocorticosterone (CHEBI:86381) is a 21-hydroxy steroid (CHEBI:35344)
	5β-dihydrocorticosterone (CHEBI:86381) is a 3-oxo-5β-steroid (CHEBI:1624)
	5β-dihydrocorticosterone (CHEBI:86381) is a primary α-hydroxy ketone (CHEBI:139590)

IUPAC Name
(5β,11β)-11,21-dihydroxypregnane-3,20-dione

Synonyms	Source
11beta,21-Dihydroxy-5beta-pregnane-3,20-dione	KEGG COMPOUND
11β,21-dihydroxy-5β-pregnane-3,20-dione	SUBMITTER
5beta-Pregnane-11beta,21-diol-3,20-dione	KEGG COMPOUND
5β-dihydrocorticosterone	SUBMITTER

UniProt Name	Source
5β-dihydrocorticosterone	UniProt

Manual Xrefs	Databases
C05475	KEGG COMPOUND
HMDB0006757	HMDB
LMST02030188	LIPID MAPS

Registry Numbers	Sources
Reaxys:6069078	Reaxys
CAS:566-01-8	KEGG COMPOUND

Citations