CHEBI:167918 - L-beta-aspartyl-L-aspartic acid

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ChEBI Name L-beta-aspartyl-L-aspartic acid
ChEBI ID CHEBI:167918
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12N2O7
Net Charge 0
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)
InChIKey KXAWLANLJYMEGB-UHFFFAOYSA-N
SMILES O=C(NC(CC(O)=O)C(O)=O)CC(N)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
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 L-beta-aspartyl-L-aspartic acid (CHEBI:167918) is a peptide (CHEBI:16670)
IUPAC Name
2-[(3-amino-3-carboxypropanoyl)amino]butanedioic acid
Manual Xrefs Databases
241211 ChemSpider
HMDB0011163 HMDB
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