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CHEBI:158853 - Ile-Tyr-Asn

ChEBI IDCHEBI:158853
ChEBI NameIle-Tyr-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28N4O6
Net Charge0
Average Mass408.455
Monoisotopic Mass408.20088
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C19H28N4O6/c1-3-10(2)16(21)18(27)22-13(8-11-4-6-12(24)7-5-11)17(26)23-14(19(28)29)9-15(20)25/h4-7,10,13-14,16,24H,3,8-9,21H2,1-2H3,(H2,20,25)(H,22,27)(H,23,26)(H,28,29)/t10-,13-,14-,16-/m0/s1
InChIKeyFXJLRZFMKGHYJP-CFMVVWHZSA-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-Tyr-Asn (CHEBI:158853) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-oxobutanoic acid