Structure Database (LMSD)

Common Name
10Z,13Z,16Z-nonadecatrienenitrile
Systematic Name
10Z,13Z,16Z-nonadecatrienenitrile
Synonyms
LM ID
LMFA09000001
Formula
C19H31N
Exact Mass
Calculate m/z
273.245649
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty nitriles [FA09]

String Representations

InChiKey (Click to copy)
LBPYBAZSMDVFNV-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C19H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(#N)CCCCCCCC/C=C\C/C=C\C/C=C\CC

Other Databases

CHEBI ID
137726
PubChem CID
5283466

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 335.06
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.49
Molar Refractivity 89.49

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Created at
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Updated at
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