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CHEBI:160949 - Asp-Trp-Arg

Default Structure
ChEBI IDCHEBI:160949
ChEBI NameAsp-Trp-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N7O6
Net Charge0
Average Mass475.506
Monoisotopic Mass475.21793
SMILESNC(N)=NCCC[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C21H29N7O6/c22-13(9-17(29)30)18(31)28-16(8-11-10-26-14-5-2-1-4-12(11)14)19(32)27-15(20(33)34)6-3-7-25-21(23)24/h1-2,4-5,10,13,15-16,26H,3,6-9,22H2,(H,27,32)(H,28,31)(H,29,30)(H,33,34)(H4,23,24,25)/t13-,15-,16-/m0/s1
InChIKeyYODBPLSWNJMZOJ-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)
Asp-Trp-Arg (CHEBI:160949) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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16569900ChemSpider