Structure Database (LMSD)

Common Name
gamma-heptenoic acid
Systematic Name
4-heptenoic acid
Synonyms
  • C7:1n-3
LM ID
LMFA01030014
Status
Active
Exact Mass
Calculate m/z
128.08373
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KFXPOIKSDYRVKS-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3+
SMILES (Click to copy)
C(/CC)=C\CCC(=O)O

References

Other Databases

CHEBI ID
LIPIDBANK ID
DFA0053
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 9
Rings 0
Aromatic Rings 0
Rotatable Bonds 4
Van der Waals Molecular Volume 141.96
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 1.82
Molar Refractivity 36.30

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

Admin

Created at
-
Updated at
25th Apr 2022