Structure Database (LMSD)

Common Name
9Z,11Z,13Z,15Z-octadecatetraenoic acid
Systematic Name
9Z,11Z,13Z,15Z-octadecatetraenoic acid
Synonyms
LM ID
LMFA02000328
Formula
C18H28O2
Exact Mass
Calculate m/z
276.20893
Sum Composition
FA 18:4
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]

References

Reference
S. F. Lie Ken Jie, Marcel and Khysar Pasha, Mohammed. Fatty acids, fatty acid analogues and their derivatives. Nat. Prod. Rep., 1998,15, 607-629

String Representations

InChiKey (Click to copy)
IJTNSXPMYKJZPR-WKSFOPBCSA-N
InChi (Click to copy)
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-10H,2,11-17H2,1H3,(H,19,20)/b4-3-,6-5-,8-7-,10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\C=C/C=C\C=C/CC)(=O)O

Other Databases

PubChem CID
12313969

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 324.34
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.44
Molar Refractivity 86.81

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Updated at
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