Structure Database (LMSD)

Systematic Name
17β,19-dihydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020070
Status
Active
Exact Mass
Calculate m/z
304.203845
Formula
C19H28O3
Abbrev
ST 19:2;O3
Show lipids differing only in stereochemistry/bond geometry
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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

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

String Representations

InChiKey (Click to copy)
YLTCTXBDDHSLCS-KOUJMVCDSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES (Click to copy)
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@]3(CC[C@]21[H])C

References

Other Databases

KEGG ID
C05294
HMDB ID
HMDB0060089
CHEBI ID
798
PubChem CID
150968

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
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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Updated at
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