EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159549 - Asn-Arg-Trp

ChEBI IDCHEBI:159549
ChEBI NameAsn-Arg-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N8O5
Net Charge0
Average Mass474.522
Monoisotopic Mass474.23392
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H30N8O5/c22-13(9-17(23)30)18(31)28-15(6-3-7-26-21(24)25)19(32)29-16(20(33)34)8-11-10-27-14-5-2-1-4-12(11)14/h1-2,4-5,10,13,15-16,27H,3,6-9,22H2,(H2,23,30)(H,28,31)(H,29,32)(H,33,34)(H4,24,25,26)/t13-,15-,16-/m0/s1
InChIKeyCQMQJWRCRQSBAF-BPUTZDHNSA-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)
Asn-Arg-Trp (CHEBI:159549) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid