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
Formula C10H18N2O5
Net Charge 0
Average Mass 246.26030
Monoisotopic Mass 246.122
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
Database Link Database
HMDB0028756 HMDB
View more database links
Registry Number Type Source
7209319 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
22770225 PubMed citation Europe PMC
Last Modified
25 March 2015