Structure Database (LMSD)

Common Name
11-ketoTestosterone
Systematic Name
17β-hydroxyandrost-4-en-3,11-dione
Synonyms
LM ID
LMST02020120
Status
Active
Exact Mass
Calculate m/z
302.188195
Formula
Abbrev


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
WTPMRQZHJLJSBO-XQALERBDSA-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/h9,13-14,16-17,22H,3-8,10H2,1-2H3/t13-,14-,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])C(=O)C[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1

References

Reference
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
DOI: 10.1016/j.jchromb.2009.03.028
PMID: 19369122

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

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

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
4th May 2021
Updated at
4th May 2021