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CHEBI:194400 - beta-Aspartylaspartic acid

ChEBI IDCHEBI:194400
ChEBI Namebeta-Aspartylaspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12N2O7
Net Charge0
Average Mass248.191
Monoisotopic Mass248.06445
SMILESN[C@@H](CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t3-,4-/m0/s1
InChIKeyKXAWLANLJYMEGB-IMJSIDKUSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) cerebral cortex (BTO:0000233) MetaboLights (MTBLS6578)
ChEBI Ontology
Outgoing Relation(s)
beta-Aspartylaspartic acid (CHEBI:194400) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
(2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]butanedioic acid
Manual XrefsDatabases
399507ChemSpider