CHEBI:68599 - α-Asp-Ile

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ChEBI Name α-Asp-Ile ChEBI ID CHEBI:68599 ChEBI ASCII Name alpha-Asp-Ile Definition A dipeptide that is the N-(L-α-aspartyl) derivative of L-isoleucine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H18N2O5 Net Charge 0 Average Mass 246.26030 Monoisotopic Mass 246.12157 InChI InChI=1S/C10H18N2O5/c1-3-5(2)8(10(16)17)12-9(15)6(11)4-7(13)14/h5-6,8H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)(H,16,17)/t5-,6-,8-/m0/s1 InChIKey BSWHERGFUNMWGS-HAFWLYHUSA-N SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. View more via ChEBI Ontology ChEBI Ontology Outgoing α-Asp-Ile (CHEBI:68599) has functional parent L-aspartic acid (CHEBI:17053) α-Asp-Ile (CHEBI:68599) has functional parent L-isoleucine (CHEBI:17191) α-Asp-Ile (CHEBI:68599) has role human urinary metabolite (CHEBI:84087) α-Asp-Ile (CHEBI:68599) is a dipeptide (CHEBI:46761) IUPAC Name L-α-aspartyl-L-isoleucine Synonyms Sources Aspartyl-Isoleucine HMDB L-α-Asp-L-Ile ChEBI Manual Xref Database HMDB0028756 HMDB View more database links Registry Number Type Source 7209319 Reaxys Registry Number Reaxys Citation Type Source 22770225 PubMed citation Europe PMC Last Modified 25 March 2015