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CHEBI:159839 - Asn-Ile-Asn

ChEBI IDCHEBI:159839
ChEBI NameAsn-Ile-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H25N5O6
Net Charge0
Average Mass359.383
Monoisotopic Mass359.18048
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C14H25N5O6/c1-3-6(2)11(19-12(22)7(15)4-9(16)20)13(23)18-8(14(24)25)5-10(17)21/h6-8,11H,3-5,15H2,1-2H3,(H2,16,20)(H2,17,21)(H,18,23)(H,19,22)(H,24,25)/t6-,7-,8-,11-/m0/s1
InChIKeyPTSDPWIHOYMRGR-UGYAYLCHSA-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)
Asn-Ile-Asn (CHEBI:159839) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid