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CHEBI:176949 - Pumiliotoxin A

ChEBI IDCHEBI:176949
ChEBI NamePumiliotoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H33NO2
Net Charge0
Average Mass307.478
Monoisotopic Mass307.25113
SMILESCC[C@H](O)/C(C)=C/CC(C)/C=C1\CN2CCCC2[C@@](C)(O)C1
InChIInChI=1S/C19H33NO2/c1-5-17(21)15(3)9-8-14(2)11-16-12-19(4,22)18-7-6-10-20(18)13-16/h9,11,14,17-18,21-22H,5-8,10,12-13H2,1-4H3/b15-9+,16-11-/t14?,17-,18?,19-/m0/s1
InChIKeyCUBVJLHFQCEJGM-BQAOJKSRSA-N
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pumiliotoxin A (CHEBI:176949) is a alkaloid (CHEBI:22315)
IUPAC Name 
(6Z,8S)-6-[(E,6S)-6-hydroxy-2,5-dimethyloct-4-enylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
Manual XrefsDatabases
4939785ChemSpider
Registry NumbersSources
CAS:67054-00-6ChemIDplus