EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164775 - Trp-Met-Asp

ChEBI IDCHEBI:164775
ChEBI NameTrp-Met-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O6S
Net Charge0
Average Mass450.517
Monoisotopic Mass450.15731
SMILESCSCC[C@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C20H26N4O6S/c1-31-7-6-15(19(28)24-16(20(29)30)9-17(25)26)23-18(27)13(21)8-11-10-22-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,22H,6-9,21H2,1H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,15-,16-/m0/s1
InChIKeyNESIQDDPEFTWAH-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)
Trp-Met-Asp (CHEBI:164775) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulanylbutanoyl]amino]butanedioic acid