CHEBI:179446 - Asparaginyl-Threonine

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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 Asparaginyl-Threonine
ChEBI ID CHEBI:179446
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H15N3O5
Net Charge 0
Average Mass 233.224
Monoisotopic Mass 233.10117
InChI InChI=1S/C8H15N3O5/c1-3(12)6(8(15)16)11-7(14)4(9)2-5(10)13/h3-4,6,12H,2,9H2,1H3,(H2,10,13)(H,11,14)(H,15,16)
InChIKey VBKIFHUVGLOJKT-UHFFFAOYSA-N
SMILES OC(C(NC(=O)C(N)CC(=O)N)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 Asparaginyl-Threonine (CHEBI:179446) is a dipeptide (CHEBI:46761)
IUPAC Name
2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoic acid
Manual Xrefs Databases
16568267 ChemSpider
HMDB0028741 HMDB
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