CHEBI:164586 - Trp-Cys-Thr

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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-Thr
ChEBI ID CHEBI:164586
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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(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
InChIKey PFCQMGDEHBTIIM-JYBASQMISA-N
SMILES SC[C@H](NC(=O)[C@@H](N)CC=1C=2C(NC1)=CC=CC2)C(=O)N[C@@H]([C@H](O)C)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-Thr (CHEBI:164586) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S,3R)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-hydroxybutanoic acid
Manual Xref Database
8485272 ChemSpider
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