5beta-dihydroaldosterone (CHEBI:86389)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86389 - 5β-dihydroaldosterone

Default Structure

Take structure to advanced search

ChEBI ID	CHEBI:86389
ChEBI Name	5β-dihydroaldosterone
Stars
ASCII Name	5beta-dihydroaldosterone
Definition	A 3-oxo-5β-steroid formed from aldosterone by reduction across the C4-C5 double bond.
Secondary ChEBI ID	CHEBI:734
Last Modified	6 February 2018
Submitter	nhn
Downloads	Molfile

Formula	C21H30O5
Net Charge	0
Average Mass	362.466
Monoisotopic Mass	362.20932
SMILES	[H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@]([H])(C(=O)CO)[C@@]4(C=O)C[C@H](O)[C@]3([H])[C@@]1(C)CCC(=O)C2
InChI	InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h11-12,14-17,19,22,25H,2-10H2,1H3/t12-,14+,15+,16-,17+,19-,20+,21-/m1/s1
InChIKey	IIBOWSHDTFRYKU-HLQMJBJHSA-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-dihydroaldosterone (CHEBI:86389) has functional parent aldosterone (CHEBI:27584)
	5β-dihydroaldosterone (CHEBI:86389) has parent hydride pregnane (CHEBI:8386)
	5β-dihydroaldosterone (CHEBI:86389) has role human xenobiotic metabolite (CHEBI:76967)
	5β-dihydroaldosterone (CHEBI:86389) has role mouse metabolite (CHEBI:75771)
	5β-dihydroaldosterone (CHEBI:86389) is a 11β-hydroxy steroid (CHEBI:35346)
	5β-dihydroaldosterone (CHEBI:86389) is a 18-oxo steroid (CHEBI:36887)
	5β-dihydroaldosterone (CHEBI:86389) is a 20-oxo steroid (CHEBI:36885)
	5β-dihydroaldosterone (CHEBI:86389) is a 3-oxo-5β-steroid (CHEBI:1624)
	5β-dihydroaldosterone (CHEBI:86389) is a primary α-hydroxy ketone (CHEBI:139590)
	5β-dihydroaldosterone (CHEBI:86389) is a steroid aldehyde (CHEBI:131565)

IUPAC Name
(5β,11β)-11,21-dihydroxy-3,20-dioxopregnan-18-al

Synonyms	Source
11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al	KEGG COMPOUND
11β,21-dihydroxy-3,20-oxo-5β-pregnan-18-al	ChEBI
5β-dihydroaldosterone	SUBMITTER

UniProt Name	Source
5β-dihydroaldosterone	UniProt

Manual Xrefs	Databases
C05473	KEGG COMPOUND
HMDB0006754	HMDB
LMST02030187	LIPID MAPS

Registry Numbers	Sources
Reaxys:5303791	Reaxys

Citations