Structure Database (LMSD)

Common Name
4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
Systematic Name
4-oxo-9Z,11Z,13E,15E-octadecatetraenoic acid
Synonyms
LM ID
LMFA02000270
Formula
C18H26O3
Exact Mass
Calculate m/z
290.188195
Sum Composition
FA 18:5;O
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]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
ZYOSGENSARGRME-BEGPLMEHSA-N
InChi (Click to copy)
InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3+,6-5+,8-7-,10-9-
SMILES (Click to copy)
C(CCC(=O)CCCC/C=C\C=C/C=C/C=C/CC)(=O)O

Other Databases

LIPIDAT ID
6009
CHEBI ID
132495
PubChem CID
5312915
PlantFA ID
10196

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 330.49
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.62
Molar Refractivity 87.20

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Created at
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Updated at
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