Structure Database (LMSD)

Common Name
gamma-hexenoic acid
Systematic Name
4-hexenoic acid
Synonyms
  • C6:1n-2
LM ID
LMFA01030010
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)
NIDHFQDUBOVBKZ-NSCUHMNNSA-N
InChi (Click to copy)
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h2-3H,4-5H2,1H3,(H,7,8)/b3-2+
SMILES (Click to copy)
C(/C)=C\CCC(=O)O

Other Databases

CHEBI ID
38356
LIPIDBANK ID
DFA0049
PubChem CID
638127

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