EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161337 - Phe-Asn-Lys

ChEBI IDCHEBI:161337
ChEBI NamePhe-Asn-Lys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H29N5O5
Net Charge0
Average Mass407.471
Monoisotopic Mass407.21687
SMILESNCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H29N5O5/c20-9-5-4-8-14(19(28)29)23-18(27)15(11-16(22)25)24-17(26)13(21)10-12-6-2-1-3-7-12/h1-3,6-7,13-15H,4-5,8-11,20-21H2,(H2,22,25)(H,23,27)(H,24,26)(H,28,29)/t13-,14-,15-/m0/s1
InChIKeyKAHUBGWSIQNZQQ-KKUMJFAQSA-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-Asn-Lys (CHEBI:161337) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
Manual XrefsDatabases
16573455ChemSpider