Structure Database (LMSD)

Common Name
8,11,14-nonadecatriynoic acid
Systematic Name
8,11,14-nonadecatriynoic acid
Synonyms
  • 8,11,14-Nonadecatriynoic acid
LM ID
LMFA01030502
Formula
C19H26O2
Exact Mass
Calculate m/z
286.19328
Sum Composition
FA 19:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
KSWMOGCZSMSPAX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-4,7,10,13-18H2,1H3,(H,20,21)
SMILES (Click to copy)
C(CCCCCCC#CCC#CCC#CCCCC)(=O)O

Other Databases

LIPIDAT ID
5401
CHEBI ID
137767
PubChem CID
5312637

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 336.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.39
Molar Refractivity 87.42

Admin

Created at
-
Updated at
25th Apr 2022