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CHEBI:169447 - Glutaminylaspartic acid

ChEBI IDCHEBI:169447
ChEBI NameGlutaminylaspartic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H15N3O6
Net Charge0
Average Mass261.234
Monoisotopic Mass261.09609
SMILESNC(=O)CCC(N)C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C9H15N3O6/c10-4(1-2-6(11)13)8(16)12-5(9(17)18)3-7(14)15/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)
InChIKeySSHIXEILTLPAQT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Glutaminylaspartic acid (CHEBI:169447) is a dipeptide (CHEBI:46761)
IUPAC Name 
2-[(2,5-diamino-5-oxopentanoyl)amino]butanedioic acid
Manual XrefsDatabases
16568297ChemSpider
HMDB0029145HMDB