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CHEBI:168231 - L-cis-Cyclo(aspartylphenylalanyl)

ChEBI IDCHEBI:168231
ChEBI NameL-cis-Cyclo(aspartylphenylalanyl)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O4
Net Charge0
Average Mass262.265
Monoisotopic Mass262.09536
SMILESO=C(O)CC1NC(=O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)
InChIKeyVNHJXYUDIBQDDX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
L-cis-Cyclo(aspartylphenylalanyl) (CHEBI:168231) has functional parent α-amino acid (CHEBI:33704)
L-cis-Cyclo(aspartylphenylalanyl) (CHEBI:168231) is a organonitrogen compound (CHEBI:35352)
L-cis-Cyclo(aspartylphenylalanyl) (CHEBI:168231) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
Manual XrefsDatabases
HMDB0031360HMDB
106716ChemSpider
Registry NumbersSources
CAS:55102-13-1ChemIDplus