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CHEBI:68600 - β-Asp-Leu

ChEBI IDCHEBI:68600
ChEBI Nameβ-Asp-Leu
Stars
ASCII Namebeta-Asp-Leu
DefinitionA dipeptide that is the N-(L-β-aspartyl) derivative of L-leucine.
Last Modified25 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC10H18N2O5
Net Charge0
Average Mass246.263
Monoisotopic Mass246.12157
SMILESCC(C)C[C@H](NC(=O)C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-5(2)3-7(10(16)17)12-8(13)4-6(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChIKeyIYJILWQAFPUBHP-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)
β-Asp-Leu (CHEBI:68600) has functional parent aspartic acid (CHEBI:22660)
β-Asp-Leu (CHEBI:68600) has functional parent leucine (CHEBI:25017)
β-Asp-Leu (CHEBI:68600) has role human urinary metabolite (CHEBI:84087)
β-Asp-Leu (CHEBI:68600) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-β-aspartyl-L-leucine
Synonym  Source
L-β-Asp-L-LeuChEBI
Registry NumbersSources
Reaxys:7997012Reaxys
Citations