Structure Database (LMSD)

Common Name
cis-pent-3-enoic acid
Systematic Name
(3Z)-pent-3-enoic acid
Synonyms
  • (Z)-3-pentenoic acid
  • (Z)-pent-3-enoic acid
  • C5:1, n-2 cis
  • Z-3-Pentensaeure
  • cis-3-pentenoic acid
  • cis-Pent-3-ensaeure
  • cis-beta,gamma-penteneoic acid
LM ID
LMFA01031005
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)
UIUWNILCHFBLEQ-IHWYPQMZSA-N
InChi (Click to copy)
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2-
SMILES (Click to copy)
OC(=O)C/C=C\C

Other Databases

CHEBI ID
38369
PubChem CID
5463134

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