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CHEBI:34353 - 3α,17α-dihydroxy-5β-pregnan-20-one

ChEBI IDCHEBI:34353
ChEBI Name3α,17α-dihydroxy-5β-pregnan-20-one
Stars
ASCII Name3alpha,17alpha-dihydroxy-5beta-pregnan-20-one
DefinitionA 17α-hydroxy steroid that is 3α-hydroxy-5β-pregnan-20-one carrying an additional hydroxy group at position 17α.
Secondary ChEBI IDCHEBI:180513
Last Modified9 March 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O3
Net Charge0
Average Mass334.500
Monoisotopic Mass334.25079
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4(O)C(C)=O)[C@@]1(C)CC[C@@H](O)C2
InChIInChI=1S/C21H34O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h14-18,23-24H,4-12H2,1-3H3/t14-,15-,16-,17+,18+,19+,20+,21+/m1/s1
InChIKeyLKQDFQLSEHWIRK-UKBVDAKRSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
feces (BTO:0000440) MetaboLights (MTBLS3233)
Urine (NCIT:C13283) PubMed (932595)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
hormone  Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.
ChEBI Ontology
Outgoing Relation(s)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) has role human urinary metabolite (CHEBI:84087)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a 17α-hydroxy steroid (CHEBI:35342)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a 20-oxo steroid (CHEBI:36885)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a 3α-hydroxy steroid (CHEBI:36835)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a C21-steroid (CHEBI:61313)
3α,17α-dihydroxy-5β-pregnan-20-one (CHEBI:34353) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name 
3α,17-dihydroxy-5β-pregnan-20-one
Synonyms  Source
(3α,5β)-3,17-dihydroxypregnan-20-oneChEBI
17α-hydroxypregnanoloneKEGG COMPOUND
3α,17α-dihydroxy-20-oxo-5β-pregnaneChEBI
5β-pregnane-3α,17α-diol-20-oneChEBI
5β-pregnan-3α,17α-diol-20-oneChEBI
Manual XrefsDatabases
C14609KEGG COMPOUND
Registry NumbersSources
CAS:570-52-5KEGG COMPOUND
Citations