Structure Database (LMSD)

Common Name
1-testosterone
Systematic Name
17β-hydroxy-5α-androst-1-en-3-one
Synonyms
LM ID
LMST02020110
Formula
C19H28O2
Exact Mass
Calculate m/z
288.20893
Sum Composition
ST 19:2;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

Biological Context

1-Testosterone is an analytical reference standard categorized as an anabolic androgenic steroid.1 Anabolic steroids, including 1-testosterone, have been used to enhance physical performance in racehorses and athletes. 1-Testosterone is regulated as a Schedule III compound in the United States. This product is intended for research and forensic applications.

This information has been provided by Cayman Chemical

References

1. Kwok, W.H., Ho, E.N., Leung, G.N., et al. Metabolic studies of 1-testosterone in horses. Drug Test Anal. 5(2), 81-88 (2013).

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Steroidobacter denitrificans (#465721)
Gammaproteobacteria (#1236)
Anaerobic and aerobic cleavage of the steroid core ring structure by Steroidobacter denitrificans.,
J Lipid Res, 2013
Pubmed ID: 23458847

String Representations

InChiKey (Click to copy)
OKJCFMUGMSVJBG-ABEVXSGRSA-N
InChi (Click to copy)
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,12,14-17,21H,3-6,8,10-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]23[H])CC(=O)C=1

Other Databases

KEGG ID
C15377
CHEBI ID
59714
PubChem CID
236666
Cayman ID
24079

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 300.12
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.02
Molar Refractivity 83.16

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Updated at
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