EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162699 - Pro-Trp-Arg

ChEBI IDCHEBI:162699
ChEBI NamePro-Trp-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31N7O4
Net Charge0
Average Mass457.535
Monoisotopic Mass457.24375
SMILESNC(N)=NCCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C22H31N7O4/c23-22(24)26-10-4-8-17(21(32)33)28-20(31)18(29-19(30)16-7-3-9-25-16)11-13-12-27-15-6-2-1-5-14(13)15/h1-2,5-6,12,16-18,25,27H,3-4,7-11H2,(H,28,31)(H,29,30)(H,32,33)(H4,23,24,26)/t16-,17-,18-/m0/s1
InChIKeyXNJVJEHDZPDPQL-BZSNNMDCSA-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)
Pro-Trp-Arg (CHEBI:162699) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
Manual XrefsDatabases
16574110ChemSpider