Structure Database (LMSD)

O O
Common Name
Methyl 7Z,11Z-Hexadecadienoate
Systematic Name
Methyl 7Z,11Z-Hexadecadienoate
Synonyms
  • 7,11-Hexadecadienoic acid, methyl ester, (7Z,11Z)
  • 7,11-Hexadecadienoic acid, methyl ester, (Z,Z)-
LM ID
LMFA01031052
Formula
C17H30O2
Exact Mass
Calculate m/z
266.22458
Sum Composition
FA 17:2
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]
Unsaturated fatty acids [FA0103]
Fatty esters [FA07]
Short fatty esters [FA0710]

String Representations

InChiKey (Click to copy)
FEFQAJVEHZNTHP-QOXWLJPHSA-N
InChi (Click to copy)
InChI=1S/C17H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h6-7,10-11H,3-5,8-9,12-16H2,1-2H3/b7-6-,11-10-
SMILES (Click to copy)
C(CCCCC/C=C\CC/C=C\CCCC)(=O)OC

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Pinus elliottii (#42064)
Pinopsida (#58019)
Fatty acids of Pinus elliottii tissues,
Phytochemistry, 1973

Other Databases

PubChem CID
131839751
PlantFA ID
10468

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 312.32
Topological Polar Surface Area 26.3
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.19
Molar Refractivity 82.14

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Created at
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Updated at
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