CHEBI:208350 - Pinodiketopiperazine A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pinodiketopiperazine A
ChEBI ID CHEBI:208350
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H18N2O3
Net Charge 0
Average Mass 274.320
Monoisotopic Mass 274.13174
InChI InChI=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
InChIKey VHECBSOOPJCHQH-GFCCVEGCSA-N
SMILES O=C1N[C@@H](C(=O)N(C1=CC2=CC=CC=C2)C)CCCO
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78441081 ChemSpider
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