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CHEBI:174200 - Aspartyl-Threonine

ChEBI IDCHEBI:174200
ChEBI NameAspartyl-Threonine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H14N2O6
Net Charge0
Average Mass234.208
Monoisotopic Mass234.08519
SMILESCC(O)C(NC(=O)C(N)CC(=O)O)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-3(11)6(8(15)16)10-7(14)4(9)2-5(12)13/h3-4,6,11H,2,9H2,1H3,(H,10,14)(H,12,13)(H,15,16)
InChIKeyNTQDELBZOMWXRS-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspartyl-Threonine (CHEBI:174200) is a dipeptide (CHEBI:46761)
IUPAC Name 
3-amino-4-[(1-carboxy-2-hydroxypropyl)amino]-4-oxobutanoic acid
Manual XrefsDatabases
14986881ChemSpider
HMDB0028763HMDB