RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0022482
RefMet nameAla-Asn-Pro
Systematic nameL-Alanyl-L-asparaginyl-L-proline
SynonymsPubChem Synonyms
Exact mass300.143371 (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
FormulaC12H20N4O5View other entries in RefMet with this formula
Molecular descriptors
Molfile79110 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C12H20N4O5/c1-6(13)10(18)15-7(5-9(14)17)11(19)16-4-2-3-8(16)12(20)21/h6-8H,2-5,13H2,1H3,(H2,14,17)(H,15,18)(H,20,21)/t6-,
7-,8+/m0/s1
InChIKeyXCVRVWZTXPCYJT-BIIVOSGPSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@@H]1C(=O)O)N
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassTripeptides
Distribution of Ala-Asn-Pro in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Ala-Asn-Pro
External Links
Pubchem CID145453528
ChEBI ID158008
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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