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CHEBI:225772 - Penicillactam

ChEBI IDCHEBI:225772
ChEBI NamePenicillactam
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H17N3O6
Net Charge0
Average Mass395.371
Monoisotopic Mass395.11174
SMILESCC1(CC2(O)OC(=O)c3ccccc3NC2=O)NC(=O)c2ccccc2NC1=O
InChIInChI=1S/C20H17N3O6/c1-19(17(26)21-13-8-4-2-6-11(13)15(24)23-19)10-20(28)18(27)22-14-9-5-3-7-12(14)16(25)29-20/h2-9,28H,10H2,1H3,(H,21,26)(H,22,27)(H,23,24)
InChIKeyFAPNBQQEEOZITN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies F11 (ncbitaxon:508964) - PubMed (22248032)
ChEBI Ontology
Outgoing Relation(s)
Penicillactam (CHEBI:225772) is a organonitrogen heterocyclic compound (CHEBI:38101)
Penicillactam (CHEBI:225772) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-hydroxy-3-[(3-methyl-2,5-dioxo-1,4-dihydro-1,4-benzodiazepin-3-yl)methyl]-1H-4,1-benzoxazepine-2,5-dione
Manual XrefsDatabases
29212420ChemSpider