Structure Database (LMSD)

Common Name
beta-vinyl acrylic acid
Systematic Name
2,4-pentadienoic acid
Synonyms
  • C5:2n-1,3
LM ID
LMFA01030099
Formula
C5H6O2
Exact Mass
Calculate m/z
98.03678
Sum Composition
FA 5:2
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)
SDVVLIIVFBKBMG-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h2-4H,1H2,(H,6,7)/b4-3+
SMILES (Click to copy)
C=C/C=C/C(=O)O

Other Databases

CHEBI ID
37331
LIPIDBANK ID
DFA0138
PubChem CID
642034

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 104.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 0.81
Molar Refractivity 26.97

Admin

Created at
-
Updated at
25th Apr 2022