EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206450 - Nocarazepine A

ChEBI IDCHEBI:206450
ChEBI NameNocarazepine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25N3O4
Net Charge0
Average Mass323.393
Monoisotopic Mass323.18451
SMILESCC(=O)CCCNC(=O)[C@]1(C)CCN2C(=O)[C@@H](C)NC(=O)[C@@H]2C1
InChIInChI=1S/C16H25N3O4/c1-10(20)5-4-7-17-15(23)16(3)6-8-19-12(9-16)13(21)18-11(2)14(19)22/h11-12H,4-9H2,1-3H3,(H,17,23)(H,18,21)/t11-,12+,16-/m1/s1
InChIKeySUEITZDEFMXEAW-BFQNTYOBSA-N
Species of MetaboliteComponentSourceComments
Nocardiopsisspecies (ncbitaxon:310350) - DOI (10.1007/s10600-017-1983-6)
ChEBI Ontology
Outgoing Relation(s)
Nocarazepine A (CHEBI:206450) is a organic heterobicyclic compound (CHEBI:27171)
Nocarazepine A (CHEBI:206450) is a organonitrogen heterocyclic compound (CHEBI:38101)
IUPAC Name 
(3R,8R,9aS)-3,8-dimethyl-1,4-dioxo-N-(4-oxopentyl)-2,3,6,7,9,9a-hexahydropyrido[1,2-a]pyrazine-8-carboxamide
Manual XrefsDatabases
63002554ChemSpider