CHEBI:68601 - β-Asp-Ile

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ChEBI Name β-Asp-Ile ChEBI ID CHEBI:68601 ChEBI ASCII Name beta-Asp-Ile Definition A dipeptide that is the N-(L-β-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)12-7(13)4-6(11)9(14)15/h5-6,8H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)(H,16,17)/t5-,6-,8-/m0/s1 InChIKey LINGSRBTYZDMNT-HAFWLYHUSA-N SMILES CC[C@H](C)[C@H](NC(=O)C[C@H](N)C(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 β-Asp-Ile (CHEBI:68601) has functional parent aspartic acid (CHEBI:22660) β-Asp-Ile (CHEBI:68601) has functional parent isoleucine (CHEBI:24898) β-Asp-Ile (CHEBI:68601) has role human urinary metabolite (CHEBI:84087) β-Asp-Ile (CHEBI:68601) is a dipeptide (CHEBI:46761) IUPAC Name L-β-aspartyl-L-isoleucine Synonym Source L-β-Asp-L-Ile ChEBI Citation Type Source 22770225 PubMed citation Europe PMC Last Modified 25 March 2015