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CHEBI:161623 - Phe-Ile-Thr

ChEBI IDCHEBI:161623
ChEBI NamePhe-Ile-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29N3O5
Net Charge0
Average Mass379.457
Monoisotopic Mass379.21072
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C19H29N3O5/c1-4-11(2)15(18(25)22-16(12(3)23)19(26)27)21-17(24)14(20)10-13-8-6-5-7-9-13/h5-9,11-12,14-16,23H,4,10,20H2,1-3H3,(H,21,24)(H,22,25)(H,26,27)/t11-,12+,14-,15-,16-/m0/s1
InChIKeyBYAIIACBWBOJCU-URLPEUOOSA-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)
Phe-Ile-Thr (CHEBI:161623) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
10443794ChemSpider