EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:208923 - Cyclizidine E

ChEBI IDCHEBI:208923
ChEBI NameCyclizidine E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22NO2
Net Charge+1
Average Mass272.368
Monoisotopic Mass272.16451
SMILESCC(/C=C/C1CC1)=C\[C@H]1[C@H](O)[C@@](C)(O)c2cccc[n+]21
InChIInChI=1S/C17H22NO2/c1-12(6-7-13-8-9-13)11-14-16(19)17(2,20)15-5-3-4-10-18(14)15/h3-7,10-11,13-14,16,19-20H,8-9H2,1-2H3/q+1/b7-6+,12-11+/t14-,16-,17-/m0/s1
InChIKeySMYCBUKXCCSELU-VFZCVJQISA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HNA39 (ncbitaxon:2850561) - PubMed (29389122)
ChEBI Ontology
Outgoing Relation(s)
Cyclizidine E (CHEBI:208923) is a pyridinium ion (CHEBI:50334)
IUPAC Name 
(1S,2S,3S)-3-[(1E,3E)-4-cyclopropyl-2-methylbuta-1,3-dienyl]-1-methyl-2,3-dihydroindolizin-4-ium-1,2-diol
Manual XrefsDatabases
64849033ChemSpider