LIPID MAPS

Structure Database (LMSD)

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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

Classification

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

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

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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