Structure Database (LMSD)
Common Name
Testosterone
Systematic Name
17β-hydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020002
Formula
Exact Mass
Calculate m/z
288.20893
Sum Composition
Status
Curated
3D model of Testosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
Testosterone is an analytical reference material categorized as an anabolic androgenic steroid.1 Testosterone is an endogenous metabolite of androstenedione and estradiol (ISO60155 | 10006315).2 Anabolic steroids, including testosterone, have been used to enhance physical performance in 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
2. Rane, A., and Ekström, L. Androgens and doping tests: Genetic variation and pit-falls. Br. J. Clin. Pharmacol. 74(1), 3-15 (2012).
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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String Representations
InChiKey (Click to copy)
MUMGGOZAMZWBJJ-DYKIIFRCSA-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/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
SST0020
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
GuidePharm ID
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
4.17
Molar Refractivity
83.23
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Created at
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Updated at
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