CHEBI:163778 - Thr-Cys-Glu

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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-Glu
ChEBI ID CHEBI:163778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H21N3O7S
Net Charge 0
Average Mass 351.370
Monoisotopic Mass 351.11002
InChI InChI=1S/C12H21N3O7S/c1-5(16)9(13)11(20)15-7(4-23)10(19)14-6(12(21)22)2-3-8(17)18/h5-7,9,16,23H,2-4,13H2,1H3,(H,14,19)(H,15,20)(H,17,18)(H,21,22)/t5-,6+,7+,9+/m1/s1
InChIKey DHPPWTOLRWYIDS-XKBZYTNZSA-N
SMILES SC[C@H](NC(=O)[C@@H](N)[C@H](O)C)C(=O)N[C@@H](CCC(O)=O)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 Thr-Cys-Glu (CHEBI:163778) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-sulanylpropanoyl]amino]pentanedioic acid