Structure Database (LMSD)

Common Name
5-oxo-7-octenoic acid
Systematic Name
5-oxo-7-octenoic acid
Synonyms
  • 7-Octenoic acid, 5-oxo-
LM ID
LMFA01060165
Formula
C8H12O3
Exact Mass
Calculate m/z
156.078645
Sum Composition
FA 8:2;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Oxo fatty acids [FA0106]
Unsaturated fatty acids [FA0103]

String Representations

InChiKey (Click to copy)
HWLHBDCASWFKNP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C8H12O3/c1-2-4-7(9)5-3-6-8(10)11/h2H,1,3-6H2,(H,10,11)
SMILES (Click to copy)
C(CCCC(=O)CC=C)(=O)O

Other Databases

LIPIDAT ID
6019
CHEBI ID
138495
PubChem CID
5312943

Calculated Physicochemical Properties

Heavy Atoms 11
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 165.41
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 1.39
Molar Refractivity 41.31

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Created at
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Updated at
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