beta-Aspartylaspartic acid (CHEBI:194400)

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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	beta-Aspartylaspartic acid

ChEBI ID	CHEBI:194400

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB4232504, eMolecules:478751, ZINC000000156682

Download	Molfile XML SDF

Formula

C8H12N2O7

Net Charge

Average Mass

248.191

Monoisotopic Mass

248.06445

InChI

InChI=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

InChIKey

KXAWLANLJYMEGB-IMJSIDKUSA-N

SMILES

O=C(N[C@@H](CC(O)=O)C(O)=O)C[C@H](N)C(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in cerebral cortex (BTO:0000233). See: MetaboLights Study

ChEBI Ontology
Outgoing	beta-Aspartylaspartic acid (CHEBI:194400) is a aspartic acid derivative (CHEBI:22661)

IUPAC Name

(2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]butanedioic acid