CHEBI:163800 - Thr-Cys-Trp

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Thr-Cys-Trp
ChEBI ID CHEBI:163800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB6286495, eMolecules:26750917
Download Molfile XML SDF
Formula C18H24N4O5S
Net Charge 0
Average Mass 408.470
Monoisotopic Mass 408.14674
InChI InChI=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
InChIKey VLIUBAATANYCOY-GBALPHGKSA-N
SMILES SC[C@H](NC(=O)[C@@H](N)[C@H](O)C)C(=O)N[C@@H](CC=1C=2C(NC1)=CC=CC2)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Thr-Cys-Trp (CHEBI:163800) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid