Structure Database (LMSD)

Common Name
Testosterone sulfate
Systematic Name
Synonyms
LM ID
LMST05020032
Formula
C19H28O5S
Exact Mass
Calculate m/z
368.165747
Sum Composition
ST 19:2;O2;S
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroid conjugates [ST05]
Sulfates [ST0502]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Sources of 17 alpha-hydroxypregnenolone and its sulfate in human pregnancy.,
J Clin Endocrinol Metab, 1978
Pubmed ID: 262765

String Representations

InChiKey (Click to copy)
WAQBISPOEAOCOG-DYKIIFRCSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OS(O)(=O)=O)CC[C@@]21[H])[H]

Other Databases

Wikipedia
Testosterone_sulfate
HMDB ID
HMDB0002833
CHEBI ID
84094
PubChem CID
119207

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 345.00
Topological Polar Surface Area 80.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.24
Molar Refractivity 93.55

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Created at
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Updated at
17th Sep 2024