LIPID MAPS

Structure Database (LMSD)

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Common Name

1beta-hydroxytestosterone

Systematic Name

1β,17β-dihydroxyandrost-4-en-3-one

Synonyms

LM ID

LMST02020143

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

String Representations

InChiKey (Click to copy)

LUWKGSHFDJJDAJ-SLMGBJJTSA-N

InChi (Click to copy)

InChI=1S/C19H28O3/c1-18-8-7-15-13(14(18)5-6-16(18)21)4-3-11-9-12(20)10-17(22)19(11,15)2/h9,13-17,21-22H,3-8,10H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1

SMILES (Click to copy)

[C@H]1(O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Testosterone 1 beta-hydroxylation by human cytochrome P450 3A4.,
Eur J Biochem, 2004

Pubmed ID: 15373842

Other Databases

CHEBI ID

137076

PubChem CID

54053901

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

Admin

Created at

31st Oct 2023

Updated at