Structure Database (LMSD)

Systematic Name
5α-androstane
Synonyms
LM ID
LMST02020056
Formula
C19H32
Exact Mass
Calculate m/z
260.2504
Sum Composition
ST 19:0
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]

String Representations

InChiKey (Click to copy)
QZLYKIGBANMMBK-UGCZWRCOSA-N
InChi (Click to copy)
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H]

Other Databases

KEGG ID
C01554
CHEBI ID
28859
PubChem CID
94144

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 287.82
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.81
Molar Refractivity 80.96

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Created at
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Updated at
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