CHEBI:161087 - Met-Thr-Ala

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ChEBI Name Met-Thr-Ala
ChEBI ID CHEBI:161087
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H23N3O5S
Net Charge 0
Average Mass 321.390
Monoisotopic Mass 321.13584
InChI InChI=1S/C12H23N3O5S/c1-6(12(19)20)14-11(18)9(7(2)16)15-10(17)8(13)4-5-21-3/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6-,7+,8-,9-/m0/s1
InChIKey GMMLGMFBYCFCCX-KZVJFYERSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](C)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-Ala (CHEBI:161087) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid