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CHEBI:158855 - Ile-Tyr-Asp

ChEBI IDCHEBI:158855
ChEBI NameIle-Tyr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N3O7
Net Charge0
Average Mass409.439
Monoisotopic Mass409.18490
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C19H27N3O7/c1-3-10(2)16(20)18(27)21-13(8-11-4-6-12(23)7-5-11)17(26)22-14(19(28)29)9-15(24)25/h4-7,10,13-14,16,23H,3,8-9,20H2,1-2H3,(H,21,27)(H,22,26)(H,24,25)(H,28,29)/t10-,13-,14-,16-/m0/s1
InChIKeyOMDWJWGZGMCQND-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-Asp (CHEBI:158855) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid