Structure database (LMSD)

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LM IDLMFA01030104
Common Name2E,4E-decadienoic acid
Systematic Name2E,4E-decadienoic acid
Synonymstrans-2, trans-4-decadienoic acid; C10:2n-6,8
Exact Mass
168.1150 (neutral)    Calculate m/z:
FormulaC10H16O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0143
PubChem CID5282782
PlantFA ID10443
InChIKeyYKHVVNDSWHSBPA-BLHCBFLLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-9H,2-5H2,1H3,(H,11,12)/b7-6+,9-8+
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SMILES
CCCCC/C=C/C=C/C(=O)O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms12Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
191.22Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP2.76Molar
Refractivity
50.06