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CHEBI:16524 - testosterone acetate

ChEBI IDCHEBI:16524
ChEBI Nametestosterone acetate
Stars
DefinitionAn androstanoid that is the acetate derivative of testosterone.
Secondary ChEBI IDsCHEBI:9462, CHEBI:15215, CHEBI:26884
Last Modified13 November 2017
DownloadsMolfile
FormulaC21H30O3
Net Charge0
Average Mass330.468
Monoisotopic Mass330.21949
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
InChIKeyDJPZSBANTAQNFN-PXQJOHHUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24713476)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
testosterone acetate (CHEBI:16524) has functional parent testosterone (CHEBI:17347)
testosterone acetate (CHEBI:16524) has role human metabolite (CHEBI:77746)
testosterone acetate (CHEBI:16524) is a 3-oxo-Δ4 steroid (CHEBI:47909)
testosterone acetate (CHEBI:16524) is a androstanoid (CHEBI:50402)
testosterone acetate (CHEBI:16524) is a sterol ester (CHEBI:35915)
IUPAC Name 
3-oxoandrost-4-en-17β-yl acetate
Synonyms  Source
Testosterone acetateKEGG COMPOUND
testosterone 17-acetateChemIDplus
17β-acetoxy-Δ4-androstan-3-oneNIST Chemistry WebBook
17β-hydroxyandrost-4-en-3-one acetateNIST Chemistry WebBook
17β-acetoxy-4-androsten-3-oneNIST Chemistry WebBook
UniProt Name  Source
testosterone acetateUniProt
Manual XrefsDatabases
C03027KEGG COMPOUND
LMST02020057LIPID MAPS
CPD-271MetaCyc
Registry NumbersSources
Gmelin:969611Gmelin
Reaxys:2062555Reaxys
CAS:1045-69-8KEGG COMPOUND
CAS:1045-69-8ChemIDplus
CAS:1045-69-8NIST Chemistry WebBook
Citations