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CHEBI:137077 - 2β-hydroxytestosterone

ChEBI IDCHEBI:137077
ChEBI Name2β-hydroxytestosterone
Stars
ASCII Name2beta-hydroxytestosterone
DefinitionAn androstanoid that is testosterone carrying an additional hydroxy substituent at the 2β-position.
Last Modified6 February 2018
Submitternhn
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILES[H][C@@]12CCC3=CC(=O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
InChIKeyZOIPFFUVGMVQGE-LXKHFVGGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (12649386)
Rattus norvegicus (ncbitaxon:10116) - PubMed (15721200)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
2β-hydroxytestosterone (CHEBI:137077) has role human metabolite (CHEBI:77746)
2β-hydroxytestosterone (CHEBI:137077) has role rat metabolite (CHEBI:86264)
2β-hydroxytestosterone (CHEBI:137077) is a 2-hydroxytestosterone (CHEBI:86013)
2β-hydroxytestosterone (CHEBI:137077) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name 
2β,17β-dihydroxyandrost-4-en-3-one
Synonym  Source
(2β,17β)-2,17-dihydroxyandrost-4-en-3-oneIUPAC
UniProt Name  Source
2β-hydroxytestosteroneUniProt
Manual XrefsDatabases
HMDB0012654HMDB
Registry NumbersSources
Reaxys:2625792Reaxys
CAS:10390-14-4HMDB
Citations