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CHEBI:179446 - Asparaginyl-Threonine

Default Structure
ChEBI IDCHEBI:179446
ChEBI NameAsparaginyl-Threonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H15N3O5
Net Charge0
Average Mass233.224
Monoisotopic Mass233.10117
SMILESCC(O)C(NC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=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)
InChIKeyVBKIFHUVGLOJKT-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)
Asparaginyl-Threonine (CHEBI:179446) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoic acid
Manual XrefsDatabases
16568267ChemSpider
HMDB0028741HMDB