RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153285
RefMet nameElaidic acid
Alternative nameFA 18:1(9E)
Systematic name9E-octadecenoic acid
SynonymsPubChem Synonyms
Sum CompositionFA 18:1 View other entries in RefMet with this sum composition
Exact mass282.255880 (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
FormulaC18H34O2View other entries in RefMet with this formula
Molecular descriptors
Molfile506 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChIKeyZQPPMHVWECSIRJ-MDZDMXLPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCC/C=C/CCCCCCCC(=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 Elaidic 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 Elaidic acid
External Links
Pubchem CID637517
LIPID MAPSLMFA01030073
ChEBI ID27997
KEGG IDC01712
HMDB IDHMDB0000573
Spectral data for Elaidic acid standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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