CHEBI:52929 - ToTo-1(4+)

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ChEBI Name ToTo-1(4+)
ChEBI ID CHEBI:52929
Definition The tetracation of ToTo-1 dye.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H58N6S2
Net Charge +4
Average Mass 795.160
Monoisotopic Mass 794.41424
InChI InChI=1S/C49H58N6S2/c1-50-44-22-11-13-24-46(44)56-48(50)36-38-26-30-52(42-20-9-7-18-40(38)42)28-15-32-54(3,4)34-17-35-55(5,6)33-16-29-53-31-27-39(41-19-8-10-21-43(41)53)37-49-51(2)45-23-12-14-25-47(45)57-49/h7-14,18-27,30-31,36-37H,15-17,28-29,32-35H2,1-6H3/q+4
InChIKey RUIOCPBCVXVVMB-UHFFFAOYSA-N
SMILES [N+]=1(C2=C(C=CC=C2)C(=CC1)C(=C3N(C4=C(S3)C=CC=C4)C)[H])CCC[N+](CCC[N+](CCC[N+]=5C6=C(C=CC=C6)C(=CC5)C(=C7N(C8=C(S7)C=CC=C8)C)[H])(C)C)(C)C
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ToTo-1(4+) (CHEBI:52929) has role fluorochrome (CHEBI:51217)
ToTo-1(4+) (CHEBI:52929) is a benzothiazolium ion (CHEBI:52838)
ToTo-1(4+) (CHEBI:52929) is a cyanine dye (CHEBI:37960)
ToTo-1(4+) (CHEBI:52929) is a quaternary ammonium ion (CHEBI:35267)
ToTo-1(4+) (CHEBI:52929) is a quinolinium ion (CHEBI:52837)
Incoming ToTo-1 (CHEBI:52298) has part ToTo-1(4+) (CHEBI:52929)
IUPAC Name
1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]quinolinium}
Synonyms Sources
ToTo-1 cation ChEBI
ToTo-1 tetracation ChEBI
Manual Xref Database
TOT PDBeChem
View more database links
Citation Waiting for Citations Type Source
7612596 PubMed citation Europe PMC
Last Modified
21 November 2019