RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0134969
RefMet name3-Hydroxyhexadecanoic acid
Alternative nameFA 16:0;OH
Systematic name3-hydroxy-hexadecanoic acid
SynonymsPubChem Synonyms
Sum CompositionFA 16:0;O View other entries in RefMet with this sum composition
Exact mass272.235145 (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
FormulaC16H32O3View other entries in RefMet with this formula
Molecular descriptors
Molfile1394 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyCBWALJHXHCJYTE-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCCCCCCCCCC(CC(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Distribution of 3-Hydroxyhexadecanoic 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 3-Hydroxyhexadecanoic acid
External Links
Pubchem CID301590
LIPID MAPSLMFA01050188
ChEBI ID37248
HMDB IDHMDB0061658
Spectral data for 3-Hydroxyhexadecanoic acid standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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