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CHEBI:141439 - Ile-Asp

ChEBI IDCHEBI:141439
ChEBI NameIle-Asp
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of L-isoleucine with the amino group of L-aspartic acid.
Last Modified10 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC10H18N2O5
Net Charge0
Average Mass246.263
Monoisotopic Mass246.12157
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-5(2)8(11)9(15)12-6(10(16)17)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
InChIKeyWKXVAXOSIPTXEC-HAFWLYHUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ile-Asp (CHEBI:141439) has functional parent L-aspartic acid (CHEBI:17053)
Ile-Asp (CHEBI:141439) has functional parent L-isoleucine (CHEBI:17191)
Ile-Asp (CHEBI:141439) is a dipeptide (CHEBI:46761)
IUPAC Name 
L-isoleucyl-L-aspartic acid
Synonyms  Source
isoleucylaspartic acidSUBMITTER
I-DSUBMITTER
IDSUBMITTER
(2S)-2-{[(2S,3S)-2-amino-3-methylpentanoyl]amino}succinic acidIUPAC
I-D dipeptideHMDB
ID dipeptideHMDB
Manual XrefsDatabases
HMDB0028903HMDB
Registry NumbersSources
Reaxys:7429414Reaxys
Citations