CHEBI:158545 - Ala-Thr-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 Ala-Thr-Met
ChEBI ID CHEBI:158545
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(13)10(17)15-9(7(2)16)11(18)14-8(12(19)20)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 ISCYZXFOCXWUJU-KZVJFYERSA-N
SMILES S(CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)C)[C@H](O)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 Ala-Thr-Met (CHEBI:158545) is a peptide (CHEBI:16670)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulanylbutanoic acid