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CHEBI:137032 - 19-oxo-5α-dihydrotestosterone

ChEBI IDCHEBI:137032
ChEBI Name19-oxo-5α-dihydrotestosterone
Stars
ASCII Name19-oxo-5alpha-dihydrotestosterone
DefinitionAn androstanoid that is 5α-dihydrotestosterone carrying an additional oxo susbstituent at position 19.
Last Modified6 November 2019
Submitternhn
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](O)CC[C@@]34[H])[C@@]1(C=O)CCC(=O)C2
InChIInChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h11-12,14-17,22H,2-10H2,1H3/t12-,14-,15-,16-,17-,18-,19+/m0/s1
InChIKeyAFTUEXSGQQDJKS-GLOHGQAKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (22773874)
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) has functional parent 17β-hydroxy-5α-androstan-3-one (CHEBI:16330)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) has parent hydride 5α-androstane (CHEBI:28859)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) has role human urinary metabolite (CHEBI:84087)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) is a 17β-hydroxy steroid (CHEBI:35343)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) is a 19-oxo steroid (CHEBI:38149)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) is a 3-oxo-5α-steroid (CHEBI:13601)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) is a androstanoid (CHEBI:50402)
19-oxo-5α-dihydrotestosterone (CHEBI:137032) is a steroid aldehyde (CHEBI:131565)
IUPAC Name 
17β-hydroxy-3-oxo-5α-androstan-19-al
Synonyms  Source
17β-hydroxy-5α-androstan-3,19-dioneSUBMITTER
19-oxo-dihydrotestosteroneChEBI
19-oxodihydrotestosteroneChEBI
dihydrotestosterone-19-aldehydeChEBI
(5α,17β)-17-hydroxy-3-oxoandrostan-19-alIUPAC
UniProt Name  Source
17β-hydroxy-3,19-dioxo-5α-androstanoneUniProt
Registry NumbersSources
Reaxys:23018972Reaxys
Citations