CHEBI:141421 - Asn-Ile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Asn-Ile
ChEBI ID CHEBI:141421
Definition A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-isoleucine.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C10H19N3O4
Net Charge 0
Average Mass 245.276
Monoisotopic Mass 245.13756
InChI InChI=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
InChIKey MQLZLIYPFDIDMZ-HAFWLYHUSA-N
SMILES C(=O)([C@@H](N)CC(=O)N)N[C@H](C(=O)O)[C@H](CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(2S,3S)-2-{[(2S)-2,4-diamino-4-oxobutanoyl]amino}-3-methylpentanoic acid IUPAC
asparagine isoleucine dipeptide HMDB
asparagine-isoleucine dipeptide HMDB
asparaginyl-isoleucine HMDB
asparaginylisoleucine SUBMITTER
H-L-Asn-L-Ile-OH ChEBI
L-Asn-L-Ile ChEBI
N-I SUBMITTER
N-I dipeptide HMDB
NI SUBMITTER
NI dipeptide HMDB
Manual Xrefs Databases
EP2161029 Patent
HMDB0028734 HMDB
View more database links
Registry Number Type Source
27312733 Reaxys Registry Number Reaxys
Last Modified
10 October 2018