EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161774 - Cys-Trp-Trp

ChEBI IDCHEBI:161774
ChEBI NameCys-Trp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H27N5O4S
Net Charge0
Average Mass493.589
Monoisotopic Mass493.17838
SMILESN[C@@H](CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C25H27N5O4S/c26-18(13-35)23(31)29-21(9-14-11-27-19-7-3-1-5-16(14)19)24(32)30-22(25(33)34)10-15-12-28-20-8-4-2-6-17(15)20/h1-8,11-12,18,21-22,27-28,35H,9-10,13,26H2,(H,29,31)(H,30,32)(H,33,34)/t18-,21-,22-/m0/s1
InChIKeyUEMWZFHQKFYFKZ-NYVOZVTQSA-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)
Cys-Trp-Trp (CHEBI:161774) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid