EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161157 - Met-Trp-Trp

ChEBI IDCHEBI:161157
ChEBI NameMet-Trp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31N5O4S
Net Charge0
Average Mass521.643
Monoisotopic Mass521.20968
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C27H31N5O4S/c1-37-11-10-20(28)25(33)31-23(12-16-14-29-21-8-4-2-6-18(16)21)26(34)32-24(27(35)36)13-17-15-30-22-9-5-3-7-19(17)22/h2-9,14-15,20,23-24,29-30H,10-13,28H2,1H3,(H,31,33)(H,32,34)(H,35,36)/t20-,23-,24-/m0/s1
InChIKeyUYDDNEYNGGSTDW-OYDLWJJNSA-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)
Met-Trp-Trp (CHEBI:161157) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid