Structure Database (LMSD)

H O OH H H H
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
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

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

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

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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