CHEBI:161115 - Met-Thr-Ser

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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 Met-Thr-Ser
ChEBI ID CHEBI:161115
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H23N3O6S
Net Charge 0
Average Mass 337.390
Monoisotopic Mass 337.13076
InChI InChI=1S/C12H23N3O6S/c1-6(17)9(11(19)14-8(5-16)12(20)21)15-10(18)7(13)3-4-22-2/h6-9,16-17H,3-5,13H2,1-2H3,(H,14,19)(H,15,18)(H,20,21)/t6-,7+,8+,9+/m1/s1
InChIKey GWADARYJIJDYRC-XGEHTFHBSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CO)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 )
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ChEBI Ontology
Outgoing Met-Thr-Ser (CHEBI:161115) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid