RefMet Compound Details

Created with Raphaƫl 2.1.0OHO
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0139446
RefMet nameGaidic acid
Alternative nameFA 16:1(2E)
Systematic name2-hexadecenoic acid
SynonymsPubChem Synonyms
Sum CompositionFA 16:1 View other entries in RefMet with this sum composition
Exact mass254.224580 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC16H30O2View other entries in RefMet with this formula
Molecular descriptors
Molfile488 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+
InChIKeyZVRMGCSSSYZGSM-CCEZHUSRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCC/C=C/C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassUnsaturated FA
Distribution of Gaidic acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Gaidic acid
External Links
Pubchem CID5282743
LIPID MAPSLMFA01030054
ChEBI ID37252
HMDB IDHMDB0010735
Chemspider ID4445870
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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