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CHEBI:207695 - Paenidigyamycin A

ChEBI IDCHEBI:207695
ChEBI NamePaenidigyamycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52N4
Net Charge+2
Average Mass540.840
Monoisotopic Mass540.41810
SMILESCc1c(C)[n+](CCC(C)C)c(-c2n(CCc3ccccc3)c(C)c(C)[n+]2CCC(C)C)n1CCc1ccccc1
InChIInChI=1S/C36H52N4/c1-27(2)19-23-37-29(5)31(7)39(25-21-33-15-11-9-12-16-33)35(37)36-38(24-20-28(3)4)30(6)32(8)40(36)26-22-34-17-13-10-14-18-34/h9-18,27-28H,19-26H2,1-8H3/q+2
InChIKeyTUYDOZLOJGQRQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus (ncbitaxon:44249) - PubMed (30586918)
ChEBI Ontology
Outgoing Relation(s)
Paenidigyamycin A (CHEBI:207695) is a benzenes (CHEBI:22712)
IUPAC Name 
2-[4,5-dimethyl-1-(3-methylbutyl)-3-(2-phenylethyl)imidazol-1-ium-2-yl]-4,5-dimethyl-1-(3-methylbutyl)-3-(2-phenylethyl)imidazol-1-ium
Manual XrefsDatabases
71116049ChemSpider