Structure Database (LMSD)

Common Name
4Z,7Z,10Z-octadecatrienenitrile
Systematic Name
4Z,7Z,10Z-octadecatrienenitrile
Synonyms
LM ID
LMFA09000002
Formula
C18H29N
Exact Mass
Calculate m/z
259.229999
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)
IZQMXCVZGSWCLH-ORZIMQNZSA-N
InChi (Click to copy)
InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h8-9,11-12,14-15H,2-7,10,13,16-17H2,1H3/b9-8-,12-11-,15-14-
SMILES (Click to copy)
CCCCCCC/C=C\C/C=C\C/C=C\CCC#N

Other Databases

KEGG ID
C13832
CHEBI ID
34446
PubChem CID
5282274

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 317.76
Topological Polar Surface Area 23.79
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.10
Molar Refractivity 84.88

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Created at
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Updated at
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