Structure Database (LMSD)

Common Name
16-methyl-octadeca-9Z,12Z-dienoic acid
Systematic Name
16-methyl-octadeca-9Z,12Z-dienoic acid
Synonyms
  • 16-methyl-octadeca-9,12-dienoic acid, (Z,Z)-
  • anteiso-9c,12c-nonadecadienoic acid
  • 16-methyl-octadeca-9c,12c-dienoic acid
LM ID
LMFA02000303
Formula
C19H34O2
Exact Mass
Calculate m/z
294.25588
Sum Composition
FA 19:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Branched fatty acids [FA0102]

String Representations

InChiKey (Click to copy)
DHIGOOLAUAATJD-OHPMOLHNSA-N
InChi (Click to copy)
InChI=1S/C19H34O2/c1-3-18(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-19(20)21/h4,6,10,12,18H,3,5,7-9,11,13-17H2,1-2H3,(H,20,21)/b6-4-,12-10-
SMILES (Click to copy)
C(CCCCCCC/C=C\C/C=C\CCC(C)CC)(=O)O

Other Databases

PubChem CID
87509362
PlantFA ID
10588

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 346.92
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.13
Molar Refractivity 91.54

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Created at
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Updated at
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