Structure database (LMSD)

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LM IDLMFA01030054
Common NameGaidic acid
Systematic Name2-hexadecenoic acid
Synonyms2-palmitoleic acid; C16:1n-14
Exact Mass
254.2246 (neutral)    Calculate m/z:
FormulaC16H30O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassUnsaturated fatty acids [FA0103]
LIPIDBANK IDDFA0093
PubChem CID5282743
HMDB IDHMDB0010735
CHEBI ID37252
PlantFA ID10475
CAYMAN ID11132
InChIKeyZVRMGCSSSYZGSM-CCEZHUSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1
H3,(H,17,18)/b15-14+
SMILESC(CCCCCC)CCCCCC/C=C/C(=O)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
297.66Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP5.33Molar
Refractivity
77.85