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CHEBI:84094 - testosterone sulfate

ChEBI IDCHEBI:84094
ChEBI Nametestosterone sulfate
Stars
DefinitionA steroid sulfate that is testosterone substituted by a sulfoxy group at position 17.
Last Modified4 May 2017
Submitternamrata
DownloadsMolfile
FormulaC19H28O5S
Net Charge0
Average Mass368.495
Monoisotopic Mass368.16574
SMILES[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OS(=O)(=O)O)CC[C@@]21[H]
InChIInChI=1S/C19H28O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKeyWAQBISPOEAOCOG-DYKIIFRCSA-N
Roles Classification
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
testosterone sulfate (CHEBI:84094) has role human urinary metabolite (CHEBI:84087)
testosterone sulfate (CHEBI:84094) is a 3-oxo-Δ4 steroid (CHEBI:47909)
testosterone sulfate (CHEBI:84094) is a androstanoid (CHEBI:50402)
testosterone sulfate (CHEBI:84094) is a steroid sulfate (CHEBI:16158)
testosterone sulfate (CHEBI:84094) is conjugate acid of testosterone sulfate(1−) (CHEBI:190489)
Incoming Relation(s)
testosterone sulfate(1−) (CHEBI:190489) is conjugate base of testosterone sulfate (CHEBI:84094)
IUPAC Name 
(17β)-3-oxoandrost-4-en-17-yl hydrogen sulfate
Synonym  Source
testosterone-17β-sulfateChEBI
Manual XrefsDatabases
HMDB0002833HMDB
Registry NumbersSources
Reaxys:2422110Reaxys
CAS:651-45-6ChemIDplus
Citations