EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:202959 - Paenibacillin A

ChEBI IDCHEBI:202959
ChEBI NamePaenibacillin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H18N2O
Net Charge0
Average Mass194.278
Monoisotopic Mass194.14191
SMILESCC[C@@H](C)c1ncc(C(C)C)nc1=O
InChIInChI=1S/C11H18N2O/c1-5-8(4)10-11(14)13-9(6-12-10)7(2)3/h6-8H,5H2,1-4H3,(H,13,14)/t8-/m1/s1
InChIKeyKZTSFJGGBVHWIB-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Paenibacillusspecies xy-2 (ncbitaxon:1634045) - PubMed (25981853)
ChEBI Ontology
Outgoing Relation(s)
Paenibacillin A (CHEBI:202959) is a pyrazines (CHEBI:38314)
IUPAC Name 
3-[(2R)-butan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
Manual XrefsDatabases
78436940ChemSpider