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

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ChEBI Name L-cis-Cyclo(aspartylphenylalanyl)
ChEBI ID CHEBI:168231
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C13H14N2O4
Net Charge 0
Average Mass 262.265
Monoisotopic Mass 262.09536
InChI InChI=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)
InChIKey VNHJXYUDIBQDDX-UHFFFAOYSA-N
SMILES O=C1NC(C(=O)NC1CC2=CC=CC=C2)CC(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
ChEBI Ontology
Outgoing 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 Xrefs Databases
106716 ChemSpider
HMDB0031360 HMDB
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Registry Number Type Source
55102-13-1 CAS Registry Number ChemIDplus