EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161990 - Phe-Val-Gln

ChEBI IDCHEBI:161990
ChEBI NamePhe-Val-Gln
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28N4O5
Net Charge0
Average Mass392.456
Monoisotopic Mass392.20597
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C19H28N4O5/c1-11(2)16(18(26)22-14(19(27)28)8-9-15(21)24)23-17(25)13(20)10-12-6-4-3-5-7-12/h3-7,11,13-14,16H,8-10,20H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)(H,27,28)/t13-,14-,16-/m0/s1
InChIKeyKUSYCSMTTHSZOA-DZKIICNBSA-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-Val-Gln (CHEBI:161990) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid