EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161570 - Phe-His-Ile

ChEBI IDCHEBI:161570
ChEBI NamePhe-His-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O4
Net Charge0
Average Mass415.494
Monoisotopic Mass415.22195
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cncn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H29N5O4/c1-3-13(2)18(21(29)30)26-20(28)17(10-15-11-23-12-24-15)25-19(27)16(22)9-14-7-5-4-6-8-14/h4-8,11-13,16-18H,3,9-10,22H2,1-2H3,(H,23,24)(H,25,27)(H,26,28)(H,29,30)/t13-,16-,17-,18-/m0/s1
InChIKeyZKSLXIGKRJMALF-MGHWNKPDSA-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-His-Ile (CHEBI:161570) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoic acid