CHEBI:163791 - Thr-Cys-Met

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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-Met
ChEBI ID CHEBI:163791
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H23N3O5S2
Net Charge 0
Average Mass 353.450
Monoisotopic Mass 353.10791
InChI InChI=1S/C12H23N3O5S2/c1-6(16)9(13)11(18)15-8(5-21)10(17)14-7(12(19)20)3-4-22-2/h6-9,16,21H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)/t6-,7+,8+,9+/m1/s1
InChIKey NRBUKAHTWRCUEQ-XGEHTFHBSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@H](O)C)CS)C(O)=O)C
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-Met (CHEBI:163791) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulanylpropanoyl]amino]-4-methylsulanylbutanoic acid