Structure database (LMSD)

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LM IDLMFA01031050
Common Name4Z,7Z-Hexadecadienoic acid
Systematic Name4Z,7Z-Hexadecadienoic acid
Synonyms4,7-Hexadecadienoic acid, (Z,Z)- ; Z,Z-4,7-Hexadecadienoic acid; Hexadeca-4c,
7c-dienoic acid
Exact Mass
252.2089 (neutral)    Calculate m/z:
FormulaC16H28O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
AbbrevFA 16:2
PubChem CID92034252
PlantFA ID10522
InChIKeyCQHASUVQRDMWKB-UTJQPWESSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C16H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10,12-13H,2-8,11,14-15H2,1H3,(H,17,18)/b10-9-,13-12-
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SMILES
C(CC/C=C\C/C=C\CCCCCCCC)(=O)O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds12
 van der Waals
Molecular Volume
295.02Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.10Molar
Refractivity
77.76