Structure Database (LMSD)

H H H O HO OH
Common Name
7alpha-Hydroxytestosterone
Systematic Name
7α,17β-dihydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020068
Formula
C19H28O3
Exact Mass
Calculate m/z
304.203845
Sum Composition
ST 19:2;O3
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)
RNCGWYKXAJCOLD-JUKXBMAYSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15+,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])[C@H](O)CC1=CC(CC[C@]21C)=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
7-Alpha-hydroxytestosterone in seminiferous tubules of rat testis.,
Arch Androl, 1983
Pubmed ID: 6573875

Other Databases

KEGG ID
C05291
HMDB ID
HMDB03956
CHEBI ID
2295
PubChem CID
65541

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 308.91
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.42
Molar Refractivity 85.13

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Created at
-
Updated at
11th Mar 2021