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> Main
CHEBI:84094 - testosterone sulfate
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ChEBI Ontology
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ChEBI Name
testosterone sulfate
ChEBI ID
CHEBI:84094
Definition
A steroid sulfate that is testosterone substituted by a sulfoxy group at position 17.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C19H28O5S
Net Charge
0
Average Mass
368.48800
Monoisotopic Mass
368.16575
InChI
InChI=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
InChIKey
WAQBISPOEAOCOG-DYKIIFRCSA-N
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OS(O)(=O)=O
Roles Classification
Biological Role
(s):
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
testosterone sulfate (
CHEBI:84094
)
has role
human urinary metabolite (
CHEBI:84087
)
testosterone sulfate (
CHEBI:84094
)
is a
3-oxo-Δ
4
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
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-sulfate
ChEBI
Manual Xref
Database
HMDB0002833
HMDB
View more database links
Registry Numbers
Types
Sources
2422110
Reaxys Registry Number
Reaxys
651-45-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
21849521
PubMed citation
Europe PMC
3609707
PubMed citation
Europe PMC
Last Modified
04 May 2017