CHEBI:81481 - 11β-hydroxytestosterone

ChEBI IDCHEBI:81481
ChEBI Name11β-hydroxytestosterone
Stars
ASCII Name11beta-hydroxytestosterone
DefinitionAn androstanoid that is testosterone carrying an additional hydroxy substituent at the 11β-position.
Last Modified10 April 2018
DownloadsMolfile
FormulaC19H28O3
Net Charge0
Average Mass304.430
Monoisotopic Mass304.20384
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKeyYQDZGFAYWGWSJK-SLMGBJJTSA-N
Species of MetaboliteComponentSourceComments
Gobius niger (ncbitaxon:85417)) - PubMed (2514969)
Homo sapiens (ncbitaxon:9606) - PubMed (217678)
Ictalurus punctatus (ncbitaxon:7998) - PubMed (9679086)
Clarias batrachus (ncbitaxon:59899) - PubMed (25452027)
Nostoc muscorum (ncbitaxon:1179) - PubMed (15587704)
Anguilla japonica (ncbitaxon:7937) - PubMed (16887910)
Roles Classification
Biological Roles:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
11β-hydroxytestosterone (CHEBI:81481) has functional parent testosterone (CHEBI:17347)
11β-hydroxytestosterone (CHEBI:81481) has role bacterial xenobiotic metabolite (CHEBI:76976)
11β-hydroxytestosterone (CHEBI:81481) has role human xenobiotic metabolite (CHEBI:76967)
11β-hydroxytestosterone (CHEBI:81481) has role marine metabolite (CHEBI:76507)
11β-hydroxytestosterone (CHEBI:81481) is a 11β-hydroxy steroid (CHEBI:35346)
11β-hydroxytestosterone (CHEBI:81481) is a 17β-hydroxy steroid (CHEBI:35343)
11β-hydroxytestosterone (CHEBI:81481) is a 3-oxo-Δ4 steroid (CHEBI:47909)
11β-hydroxytestosterone (CHEBI:81481) is a androstanoid (CHEBI:50402)
11β-hydroxytestosterone (CHEBI:81481) is a C19-steroid (CHEBI:131621)
IUPAC Name 
11β,17β-dihydroxyandrost-4-ene-3-one
Synonyms  Source
11beta-HydroxytestosteroneKEGG COMPOUND
11-HydroxytestosteroneChemIDplus
(11β,17β)-11,17-dihydroxyandrost-4-en-3-oneIUPAC
UniProt Name  Source
11β,17β-dihydroxyandrost-4-ene-3-oneUniProt
Manual XrefsDatabases
C18075KEGG COMPOUND
Registry NumbersSources
Reaxys:2337033Reaxys
CAS:1816-85-9KEGG COMPOUND
CAS:1816-85-9ChemIDplus
Citations