Structure Database (LMSD)

Common Name
11beta-Hydroxytestosterone
Systematic Name
11β,17β-Dihydroxy-4-androsten-3-one
Synonyms
  • 4-androstene-11beta,17beta-diol-3-one
LM ID
LMST02020124
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

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
Studies on the metabolism of steroid hormones in a virilizing adrenal cortex adenoma.,
Endokrinologie, 1978
Pubmed ID: 217678
Esox lucius (#8010)
Actinopteri (#186623)
In vitro biosynthesis of 11beta-hydroxy- and 11-oxotestosterone by testes of the pike (Esox lucius) and the perch (Perca fluviatilis),
Gen Comp Endocrinol ., 1978
Pubmed ID: 750289

String Representations

InChiKey (Click to copy)
YQDZGFAYWGWSJK-SLMGBJJTSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C1CC(=O)C=C2CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)C[C@H](O)[C@]3([H])[C@@]12C

Other Databases

KEGG ID
C18075
CHEBI ID
81481
PubChem CID
114920

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings
Rotatable Bonds
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
8th Mar 2023
Updated at
8th Mar 2023