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CHEBI:52867 - LoLo-1(4+)

ChEBI IDCHEBI:52867
ChEBI NameLoLo-1(4+)
Stars
DefinitionThe tetracation of LoLo-1 dye.
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC47H54Br2N8S2
Net Charge+4
Average Mass954.947
Monoisotopic Mass952.22577
SMILES[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(=C([H])c3nc4c(cc(Br)c[n+]4C)s3)c3ccccc32)c2ccccc21)c1nc2c(cc(Br)c[n+]2C)s1
InChIInChI=1S/C47H54Br2N8S2/c1-52-32-36(48)30-42-46(52)50-44(58-42)28-34-18-22-54(40-16-9-7-14-38(34)40)20-11-24-56(3,4)26-13-27-57(5,6)25-12-21-55-23-19-35(39-15-8-10-17-41(39)55)29-45-51-47-43(59-45)31-37(49)33-53(47)2/h7-10,14-19,22-23,28-33H,11-13,20-21,24-27H2,1-6H3/q+4
InChIKeyGWVCJXATUHGZNE-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
LoLo-1(4+) (CHEBI:52867) has role fluorochrome (CHEBI:51217)
LoLo-1(4+) (CHEBI:52867) is a quaternary ammonium ion (CHEBI:35267)
Incoming Relation(s)
LoLo-1 dye (CHEBI:52103) has part LoLo-1(4+) (CHEBI:52867)
IUPAC Name 
2,2'-{propane-1,3-diylbis[(dimethylammonio)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(6-bromo-4-methyl[1,3]thiazolo[4,5-b]pyridin-4-ium)
Synonym  Source
LoLo-1 tetracationChEBI