Structure Database (LMSD)

Common Name
16-methyl-octadeca-5Z,9Z,12Z-trienoic acid
Systematic Name
16-methyl-octadeca-5Z,9Z,12Z-trienoic acid
Synonyms
  • 16-methyl-octadeca-5,9,12-trienoic acid, (Z,Z,Z)-
  • anteiso-5c,9c,12c-nonadecatrienoic acid
  • 16-methyl-octadeca-5c,9c,12c-trienoic acid
LM ID
LMFA01020405
Formula
C19H32O2
Exact Mass
Calculate m/z
292.24023
Sum Composition
FA 19:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
CBDCJUVYPOLINT-XXCIQDTRSA-N
InChi (Click to copy)
InChI=1S/C19H32O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,9-12,18H,3,5,7-8,13-17H2,1-2H3,(H,20,21)/b6-4-,11-9-,12-10-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\C/C=C\CCC(C)CC)(=O)O

Other Databases

CHEBI ID
186921
PubChem CID
101171721
PlantFA ID
10586

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 344.28
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.91
Molar Refractivity 91.45

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Created at
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Updated at
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