RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0010441
RefMet nameN-Acetyl-proline
Systematic name1-acetylpyrrolidine-2-carboxylic acid
SynonymsPubChem Synonyms
Exact mass157.073894 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC7H11NO3View other entries in RefMet with this formula
Molecular descriptors
Molfile78549 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyGNMSLDIYJOSUSW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=O)N1CCCC1C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of N-Acetyl-proline 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 N-Acetyl-proline
External Links
Pubchem CID322640
ChEBI ID165873
HMDB IDHMDB0242126
Chemspider ID285677
Spectral data for N-Acetyl-proline standards
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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