Structure Database (LMSD)

Common Name
2E,7-Octadienoic acid
Systematic Name
2E,7-Octadienoic acid
Synonyms
  • C8:2n-1,6
LM ID
LMFA01030795
Formula
C8H12O2
Exact Mass
Calculate m/z
140.08373
Sum Composition
FA 8:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

String Representations

InChiKey (Click to copy)
NZEBVMIRSIBPJJ-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2,6-7H,1,3-5H2,(H,9,10)/b7-6+
SMILES (Click to copy)
C(/C=C/CCCC=C)(=O)O

Other Databases

CHEBI ID
192127
PubChem CID
15356128

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 156.62
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.98
Molar Refractivity 40.82

Admin

Created at
-
Updated at
25th Apr 2022