CHEBI:161093 - Met-Thr-Asp

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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-Asp
ChEBI ID CHEBI:161093
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H23N3O7S
Net Charge 0
Average Mass 365.400
Monoisotopic Mass 365.12567
InChI InChI=1S/C13H23N3O7S/c1-6(17)10(16-11(20)7(14)3-4-24-2)12(21)15-8(13(22)23)5-9(18)19/h6-8,10,17H,3-5,14H2,1-2H3,(H,15,21)(H,16,20)(H,18,19)(H,22,23)/t6-,7+,8+,10+/m1/s1
InChIKey KYXDADPHSNFWQX-VEVYYDQMSA-N
SMILES S(CC[C@H](N)C(=O)N[C@@H]([C@H](O)C)C(=O)N[C@@H](CC(O)=O)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 Met-Thr-Asp (CHEBI:161093) is a oligopeptide (CHEBI:25676)
IUPAC Name
(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
Manual Xref Database
8331222 ChemSpider
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