CHEBI:164570 - Trp-Cys-His

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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 Trp-Cys-His
ChEBI ID CHEBI:164570
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24N6O4S
Net Charge 0
Average Mass 444.510
Monoisotopic Mass 444.15797
InChI InChI=1S/C20H24N6O4S/c21-14(5-11-7-23-15-4-2-1-3-13(11)15)18(27)26-17(9-31)19(28)25-16(20(29)30)6-12-8-22-10-24-12/h1-4,7-8,10,14,16-17,23,31H,5-6,9,21H2,(H,22,24)(H,25,28)(H,26,27)(H,29,30)/t14-,16-,17-/m0/s1
InChIKey GZTKZDGIEBKZAH-XIRDDKMYSA-N
SMILES SC[C@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H](CC=3NC=NC3)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 )
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ChEBI Ontology
Outgoing Trp-Cys-His (CHEBI:164570) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid