Structure Database (LMSD)

O HO O OH
Common Name
5Z,8Z,11Z,14Z-Eicosatetraenedioic acid
Systematic Name
5Z,8Z,11Z,14Z-Eicosatetraenedioic acid
Synonyms
LM ID
LMFA01170034
Formula
C20H30O4
Exact Mass
Calculate m/z
334.21441
Sum Composition
FA 20:5;O2
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]
Dicarboxylic acids [FA0117]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
BGOJKUCHTMYINI-DTLRTWKJSA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3-4,6-7,9-10,12H,2,5,8,11,13-18H2,(H,21,22)(H,23,24)/b3-1-,6-4-,9-7-,12-10-
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O)(=O)O

References

Other Databases

LIPIDAT ID
3487
CHEBI ID
76966
PubChem CID
6437827
Cayman ID
10007912

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 373.88
Topological Polar Surface Area 74.60
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 5.28
Molar Refractivity 98.00

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Created at
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Updated at
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