Structure Database (LMSD)

Common Name
2E-nonenoic acid
Systematic Name
2E-nonenoic acid
Synonyms
  • C9:1n-7
LM ID
LMFA01030443
Formula
Exact Mass
Calculate m/z
156.11503
Sum Composition
Status
Active


Classification

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)
ADLXTJMPCFOTOO-BQYQJAHWSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h7-8H,2-6H2,1H3,(H,10,11)/b8-7+
SMILES (Click to copy)
C(/C=C/CCCCCC)(=O)O

Other Databases

LIPIDAT ID
5463
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 176.56
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 2.60
Molar Refractivity 45.53

Admin

Created at
-
Updated at
25th Apr 2022