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CHEBI:9464 - testosterone enanthate

ChEBI IDCHEBI:9464
ChEBI Nametestosterone enanthate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC26H40O3
Net Charge0
Average Mass400.603
Monoisotopic Mass400.29775
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CCCCCC)CC[C@@]21[H]
InChIInChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
InChIKeyVOCBWIIFXDYGNZ-IXKNJLPQSA-N
Roles Classification
Biological Role:
androgen  A sex hormone that stimulates or controls the development and maintenance of masculine characteristics in vertebrates by binding to androgen receptors.
ChEBI Ontology
Outgoing Relation(s)
testosterone enanthate (CHEBI:9464) has functional parent testosterone (CHEBI:17347)
testosterone enanthate (CHEBI:9464) has role androgen (CHEBI:50113)
testosterone enanthate (CHEBI:9464) is a heptanoate ester (CHEBI:50898)
testosterone enanthate (CHEBI:9464) is a sterol ester (CHEBI:35915)
IUPAC Name 
3-oxoandrost-4-en-17β-yl heptanoate
Synonyms  Source
17-((1-Oxoheptyl)oxy)androst-4-en-3-oneChemIDplus
17-Hydroxyandrost-4-en-3-one, 17-heptanoateChemIDplus
Testosterone heptanoateChemIDplus
Testosterone 17-enanthateChemIDplus
17β-hydroxyandrost-4-en-3-one heptanoateNIST Chemistry WebBook
Manual XrefsDatabases
C08157KEGG COMPOUND
DB00624DrugBank
D00958KEGG DRUG
LMST02020075LIPID MAPS
4609DrugCentral
Registry NumbersSources
Beilstein:3170544Beilstein
CAS:315-37-7KEGG COMPOUND
CAS:315-37-7ChemIDplus
CAS:315-37-7NIST Chemistry WebBook