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CHEBI:208350 - Pinodiketopiperazine A

ChEBI IDCHEBI:208350
ChEBI NamePinodiketopiperazine A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18N2O3
Net Charge0
Average Mass274.320
Monoisotopic Mass274.13174
SMILESCN1C(=O)[C@@H](CCCO)NC(=O)C1=Cc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-17-13(10-11-6-3-2-4-7-11)14(19)16-12(15(17)20)8-5-9-18/h2-4,6-7,10,12,18H,5,8-9H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyVHECBSOOPJCHQH-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (23792827)
ChEBI Ontology
Outgoing Relation(s)
Pinodiketopiperazine A (CHEBI:208350) has functional parent α-amino acid (CHEBI:33704)
Pinodiketopiperazine A (CHEBI:208350) is a organonitrogen compound (CHEBI:35352)
Pinodiketopiperazine A (CHEBI:208350) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-6-benzylidene-3-(3-hydroxypropyl)-1-methylpiperazine-2,5-dione
Manual XrefsDatabases
78441081ChemSpider