Structure Database (LMSD)

Common Name
11beta-Hydroxyandrostenedione
Systematic Name
11β-hydroxyandrost-4-ene-3,17-dione
Synonyms
  • 11beta-OHA4
LM ID
LMST02020066
Formula
C19H26O3
Exact Mass
Calculate m/z
302.188195
Sum Composition
ST 19:3;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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
Carassius auratus (#7957)
Actinopteri (#186623)
A quantitative HPLC-MS method for the simultaneous determination of testosterone, 11-ketotestosterone and 11-beta hydroxyandrostenedione in fish serum.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
Pubmed ID: 19369122
Homo sapiens (#9606)
Mammalia (#40674)
11β-Hydroxydihydrotestosterone and 11-ketodihydrotestosterone, novel C19 steroids with androgenic activity: a putative role in castration resistant prostate cancer?,
Mol Cell Endocrinol, 2013
Pubmed ID: 23856005

String Representations

InChiKey (Click to copy)
WSCUHXPGYUMQEX-KCZNZURUSA-N
InChi (Click to copy)
InChI=1S/C19H26O3/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/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O

Other Databases

Wikipedia
11β-Hydroxyandrostenedione
KEGG ID
C05284
HMDB ID
HMDB0006773
CHEBI ID
27967
PubChem CID
94141
Cayman ID
30410

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 306.27
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.34
Molar Refractivity 83.62

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Created at
-
Updated at
4th May 2021