Structure Database (LMSD)

Common Name
cis-pent-2-enoic acid
Systematic Name
(2Z)-pent-2-enoic acid
Synonyms
  • (Z)-2-pentenoic acid
  • C5:1, n-3 cis
  • Pent-2c-ensaeure
  • Z-2-Pentencarbonsaeure
  • cis-2-pentenoic acid
  • cis-Pent-2-ensaeure
  • cis-alpha,beta-penteneoic acid
  • cis-beta-Aethylacrylsaeure
  • pent-2c-enoic acid
LM ID
LMFA01031004
Formula
C5H8O2
Exact Mass
Calculate m/z
100.05243
Sum Composition
FA 5:1
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)
YIYBQIKDCADOSF-ARJAWSKDSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3-
SMILES (Click to copy)
O=C(/C=C\CC)O

Other Databases

CHEBI ID
38367
PubChem CID
643793

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 107.36
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.04
Molar Refractivity 27.07

Admin

Created at
-
Updated at
25th Apr 2022