EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:158881 - Ile-Tyr-Thr

ChEBI IDCHEBI:158881
ChEBI NameIle-Tyr-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29N3O6
Net Charge0
Average Mass395.456
Monoisotopic Mass395.20564
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C19H29N3O6/c1-4-10(2)15(20)18(26)21-14(9-12-5-7-13(24)8-6-12)17(25)22-16(11(3)23)19(27)28/h5-8,10-11,14-16,23-24H,4,9,20H2,1-3H3,(H,21,26)(H,22,25)(H,27,28)/t10-,11+,14-,15-,16-/m0/s1
InChIKeyNGKPIPCGMLWHBX-WZLNRYEVSA-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-Thr (CHEBI:158881) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid