EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:163800 - Thr-Cys-Trp

ChEBI IDCHEBI:163800
ChEBI NameThr-Cys-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N4O5S
Net Charge0
Average Mass408.480
Monoisotopic Mass408.14674
SMILESC[C@@H](O)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C18H24N4O5S/c1-9(23)15(19)17(25)22-14(8-28)16(24)21-13(18(26)27)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13-15,20,23,28H,6,8,19H2,1H3,(H,21,24)(H,22,25)(H,26,27)/t9-,13+,14+,15+/m1/s1
InChIKeyVLIUBAATANYCOY-GBALPHGKSA-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)
Thr-Cys-Trp (CHEBI:163800) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid