Structure Database (LMSD)

H O O H H H
Systematic Name
5α-androstane-3,17-dione
Synonyms
  • 5alpha-Androstane-3,17-dione
  • 5alpha-androstane-3,17-dione
  • Androstanedione
LM ID
LMST02020085
Formula
C19H28O2
Exact Mass
Calculate m/z
288.20893
Sum Composition
ST 19:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
RAJWOBJTTGJROA-WZNAKSSCSA-N
InChi (Click to copy)
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
SMILES (Click to copy)
C1CC(=O)C[C@]2([H])CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)C(=O)CC[C@]13[H]

References

Other Databases

KEGG ID
C00674
HMDB ID
HMDB0000899
CHEBI ID
15994
PubChem CID
222865
SwissLipids ID
SLM:000001056
PDB ID
5SD

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 300.12
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.17
Molar Refractivity 81.74

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Created at
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Updated at
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