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CHEBI:164586 - Trp-Cys-Thr

Default Structure
ChEBI IDCHEBI:164586
ChEBI NameTrp-Cys-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24N4O5S
Net Charge0
Average Mass408.480
Monoisotopic Mass408.14674
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C18H24N4O5S/c1-9(23)15(18(26)27)22-17(25)14(8-28)21-16(24)12(19)6-10-7-20-13-5-3-2-4-11(10)13/h2-5,7,9,12,14-15,20,23,28H,6,8,19H2,1H3,(H,21,24)(H,22,25)(H,26,27)/t9-,12+,14+,15+/m1/s1
InChIKeyPFCQMGDEHBTIIM-JYBASQMISA-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-Cys-Thr (CHEBI:164586) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-hydroxybutanoic acid
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