Structure database (LMSD)

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LM IDLMFA01060220
Common Name11-oxo-undeca-5,8-dienoic acid
Systematic Name11-oxo-undeca-(5Z,8Z)-dienoic acid
Synonyms-
Exact Mass
196.1099 (neutral)    Calculate m/z:
FormulaC11H16O3
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassOxo fatty acids [FA0106]
Alternative ClassesUnsaturated fatty acids[FA0103], Branched fatty acids[FA0102], Hydroxy fatty acids[FA0105], Carbocyclic fatty acids[FA0114]
AbbrevFA 11:3;O
PubChem CID134812119
CHEBI ID186808
InChIKeyKPKKCUVOGCYKCP-OVYZBVKCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C11H16O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1,3-4,6,10H,2,5,7-9H2,(H,13,14)/b3-1-,6-4-
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SMILES
C(=O)(O)CCC/C=C\C/C=C\CC=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms14Rings0Aromatic Rings0Rotatable Bonds8
 van der Waals
Molecular Volume
214.67Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP2.33Molar
Refractivity
55.06