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CHEBI:159866 - Asn-Ile-Thr

ChEBI IDCHEBI:159866
ChEBI NameAsn-Ile-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H26N4O6
Net Charge0
Average Mass346.384
Monoisotopic Mass346.18523
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C14H26N4O6/c1-4-6(2)10(17-12(21)8(15)5-9(16)20)13(22)18-11(7(3)19)14(23)24/h6-8,10-11,19H,4-5,15H2,1-3H3,(H2,16,20)(H,17,21)(H,18,22)(H,23,24)/t6-,7+,8-,10-,11-/m0/s1
InChIKeyIBLAOXSULLECQZ-IUKAMOBKSA-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-Thr (CHEBI:159866) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
57536634ChemSpider