Structure Database (LMSD)

Common Name
2Z-Hexenoic acid
Systematic Name
2Z-Hexenoic acid
Synonyms
  • C6:1n-4
LM ID
LMFA01030791
Formula
C6H10O2
Exact Mass
Calculate m/z
114.06808
Sum Composition
FA 6:1
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)
NIONDZDPPYHYKY-PLNGDYQASA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/b5-4-
SMILES (Click to copy)
C(/C=C\CCC)(=O)O

Other Databases

CHEBI ID
180387
PubChem CID
12467038
PDB ID
GC5

Calculated Physicochemical Properties

Heavy Atoms 8
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 124.66
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.43
Molar Refractivity 31.68

Admin

Created at
-
Updated at
25th Apr 2022