RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0019841
RefMet nameLeu-Ala-Asp
Systematic nameL-Leucyl-L-alanyl-L-aspartic acid
SynonymsPubChem Synonyms
Exact mass317.158687 (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
FormulaC13H23N3O6View other entries in RefMet with this formula
Molecular descriptors
Molfile83059 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C13H23N3O6/c1-6(2)4-8(14)12(20)15-7(3)11(19)16-9(13(21)22)5-10(17)18/h6-9H,4-5,14H2,1-3H3,(H,15,20)(H,16,19)(H,17,18)(H,2
1,22)/t7-,8-,9-/m0/s1
InChIKeyZRLUISBDKUWAIZ-CIUDSAMLSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(C)C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=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 Leu-Ala-Asp in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Leu-Ala-Asp
External Links
Pubchem CID71464670
ChEBI ID73524
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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