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CHEBI:68596 - α-Asp-Leu

ChEBI IDCHEBI:68596
ChEBI Nameα-Asp-Leu
Stars
ASCII Namealpha-Asp-Leu
DefinitionA dipeptide that is the N-(L-α-aspartyl) derivative of L-leucine.
Last Modified5 June 2020
Submittermwilliams
DownloadsMolfile
FormulaC10H18N2O5
Net Charge0
Average Mass246.263
Monoisotopic Mass246.12157
SMILESCC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-9(15)6(11)4-8(13)14/h5-7H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1
InChIKeyZVDPYSVOZFINEE-BQBZGAKWSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
α-Asp-Leu (CHEBI:68596) has functional parent aspartic acid (CHEBI:22660)
α-Asp-Leu (CHEBI:68596) has functional parent leucine (CHEBI:25017)
α-Asp-Leu (CHEBI:68596) has role human urinary metabolite (CHEBI:84087)
α-Asp-Leu (CHEBI:68596) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-α-aspartyl-L-leucine
Synonyms  Source
Aspartyl-LeucineHMDB
L-α-Asp-L-LeuChEBI
DLChEBI
Asp-LeuChEBI
Manual XrefsDatabases
HMDB0028757HMDB
Registry NumbersSources
Reaxys:1714286Reaxys
Citations