Structure Database (LMSD)

O OH
Common Name
Vaccelenic acid
Systematic Name
11E,15Z-octadecadienoic acid
Synonyms
LM ID
LMFA02000300
Formula
C18H32O2
Exact Mass
Calculate m/z
280.24023
Sum Composition
FA 18:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HHELYEVVXBEXIZ-ODYTWBPASA-N
InChi (Click to copy)
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,7-8H,2,5-6,9-17H2,1H3,(H,19,20)/b4-3-,8-7+
SMILES (Click to copy)
C(CCCCCCCCC/C=C/CC/C=C\CC)(=O)O

References

Other Databases

PubChem CID
13983931

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 329.62
Topological Polar Surface Area 37.3
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.88
Molar Refractivity 86.99

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Created at
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Updated at
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