Structure Database (LMSD)

O OH
Common Name
18:2(5Z,9Z)(16Me)
Systematic Name
16-methyl-5Z,9Z-octadecadienoic acid
Synonyms
LM ID
LMFA01020378
Formula
C19H34O2
Exact Mass
Calculate m/z
294.25588
Sum Composition
FA 19:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

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)
RYYKVAYQZKMXOB-MJCCWDFWSA-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/h4,6,9,11,18H,3,5,7-8,10,12-17H2,1-2H3,(H,20,21)/b6-4-,11-9-
SMILES (Click to copy)
C(CCC/C=C\CC/C=C\CCCCCC(C)CC)(=O)O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Malvaviscus arboreus (#93788)
Magnoliopsida (#3398)
Lipid compounds of freshwater sponges: family Spongillidae, class Demospongiae.,
Chem Phys Lipids, 2003
Pubmed ID: 12691847

Other Databases

PubChem CID
52921792
PlantFA ID
10587

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 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 6.13
Molar Refractivity 91.54

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Updated at
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