Structure Database (LMSD)

Common Name
4E-nonenoic acid
Systematic Name
4E-nonenoic acid
Synonyms
  • C9:1n-5
LM ID
LMFA01030445
Formula
C9H16O2
Exact Mass
Calculate m/z
156.11503
Sum Composition
FA 9:1
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)
HVCNEOVTZJYUAI-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C9H16O2/c1-2-3-4-5-6-7-8-9(10)11/h5-6H,2-4,7-8H2,1H3,(H,10,11)/b6-5+
SMILES (Click to copy)
C(CC/C=C/CCCC)(=O)O

Other Databases

LIPIDAT ID
5470
CHEBI ID
195758
PubChem CID
5312588

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