Structure Database (LMSD)

Common Name
12-Keto-9Z,13Z,15Z-octadecatrienoic acid
Systematic Name
12-Oxo-9Z,13Z,15Z-octadecatrienoic acid
Synonyms
  • 12-Oxo-9,13,15-octadecatrienoic acid, (Z,E,Z)-
  • 12-Oxo-9c,13t,15c-octadecatrienoic acid
LM ID
LMFA02000310
Formula
C18H28O3
Exact Mass
Calculate m/z
292.203845
Sum Composition
FA 18:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Octadecanoids [FA02]
Other Octadecanoids [FA0200]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]

String Representations

InChiKey (Click to copy)
KWTFJBXQTYIPIU-YMVUBCEOSA-N
InChi (Click to copy)
InChI=1S/C18H28O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,11-12,14H,2,5-8,10,13,15-16H2,1H3,(H,20,21)/b4-3-,12-9-,14-11+
SMILES (Click to copy)
C(O)(=O)CCCCCCC/C=C\CC(=O)/C=C/C=C\CC

Other Databases

CHEBI ID
197235
PubChem CID
131839809
PlantFA ID
10573

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 333.13
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.84
Molar Refractivity 87.29

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Created at
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Updated at
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