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CHEBI:141421 - Asn-Ile

Default Structure
ChEBI IDCHEBI:141421
ChEBI NameAsn-Ile
Stars
DefinitionA dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-isoleucine.
Last Modified10 October 2018
Submittermwilliams
DownloadsMolfile
FormulaC10H19N3O4
Net Charge0
Average Mass245.279
Monoisotopic Mass245.13756
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-5(2)8(10(16)17)13-9(15)6(11)4-7(12)14/h5-6,8H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)/t5-,6-,8-/m0/s1
InChIKeyMQLZLIYPFDIDMZ-HAFWLYHUSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Asn-Ile (CHEBI:141421) has functional parent L-asparagine (CHEBI:17196)
Asn-Ile (CHEBI:141421) has functional parent L-isoleucine (CHEBI:17191)
Asn-Ile (CHEBI:141421) is a carboxylic acid (CHEBI:33575)
Asn-Ile (CHEBI:141421) is a dipeptide (CHEBI:46761)
Asn-Ile (CHEBI:141421) is a primary amino compound (CHEBI:50994)
Asn-Ile (CHEBI:141421) is a primary carboxamide (CHEBI:140324)
Asn-Ile (CHEBI:141421) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
L-asparaginyl-L-isoleucine
Synonyms  Source
(2S,3S)-2-{[(2S)-2,4-diamino-4-oxobutanoyl]amino}-3-methylpentanoic acidIUPAC
asparagine isoleucine dipeptideHMDB
asparagine-isoleucine dipeptideHMDB
asparaginyl-isoleucineHMDB
asparaginylisoleucineSUBMITTER
H-L-Asn-L-Ile-OHChEBI
Manual XrefsDatabases
EP2161029Patent
HMDB0028734HMDB
Registry NumbersSources
Reaxys:27312733Reaxys