Structure Database (LMSD)

Common Name
3,5-hexadienoic acid
Systematic Name
3,5-hexadienoic acid
Synonyms
  • C6:2n-1,3
LM ID
LMFA01030451
Formula
C6H8O2
Exact Mass
Calculate m/z
112.05243
Sum Composition
FA 6:2
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)
KRMCNXUYEWISGE-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-4H,1,5H2,(H,7,8)/b4-3+
SMILES (Click to copy)
C(C/C=C/C=C)(=O)O

Other Databases

LIPIDAT ID
4453
CHEBI ID
165461
PubChem CID
5312594

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 122.02
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.20
Molar Refractivity 31.59

Admin

Created at
-
Updated at
25th Apr 2022