Structure Database (LMSD)

Common Name
5alpha-Dihydrotestosterone sulfate
Systematic Name
5α-dihydrotestosterone 17-sulfate
Synonyms
  • DHT-sulfate
LM ID
LMST05020023
Formula
C19H30O5S
Exact Mass
Calculate m/z
370.181397
Sum Composition
ST 19:1;O2;S
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
KYVPWJSGFKNNLD-ABEVXSGRSA-N
InChi (Click to copy)
InChI=1S/C19H30O5S/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/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OS(O)(=O)=O)CC[C@@]21[H])[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Steroid conjugates in human seminal plasma.,
Clin Endocrinol (Oxf), 1976
Pubmed ID: 133773

Other Databases

HMDB ID
HMDB06278
CHEBI ID
138026
PubChem CID
18665256

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 347.64
Topological Polar Surface Area 80.67
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.32
Molar Refractivity 93.57

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Created at
-
Updated at
18th Sep 2024