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CHEBI:51461 - SYBR Green I

ChEBI IDCHEBI:51461
ChEBI NameSYBR Green I
Stars
DefinitionA benzothiazolium ion resulting from the methylation of the nitrogen of the benzothiazole group of N-[4-(1,3-benzothiazol-2-ylmethylene)-1-phenyl-1,4-dihydroquinolin-2-yl]-N',N'-dimethyl-N-propylpropane-1,3-diamine. A cationic unsymmetrical cyanine dye that binds to double-stranded DNA and is used as a nucleic acid stain in molecular biology.
Last Modified26 November 2019
SubmitterInma Spiteri
DownloadsMolfile
FormulaC32H37N4S
Net Charge+1
Average Mass509.743
Monoisotopic Mass509.27334
SMILESCCCN(CCCN(C)C)C1=C/C(=C\c2sc3ccccc3[n+]2C)c2ccccc2N1c1ccccc1
InChIInChI=1S/C32H37N4S/c1-5-20-35(22-13-21-33(2)3)31-23-25(24-32-34(4)29-18-11-12-19-30(29)37-32)27-16-9-10-17-28(27)36(31)26-14-7-6-8-15-26/h6-12,14-19,23-24H,5,13,20-22H2,1-4H3/q+1
InChIKeyCGNLCCVKSWNSDG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
dye 
ChEBI Ontology
Outgoing Relation(s)
SYBR Green I (CHEBI:51461) has role fluorescent dye (CHEBI:51121)
SYBR Green I (CHEBI:51461) is a benzothiazolium ion (CHEBI:52838)
SYBR Green I (CHEBI:51461) is a cyanine dye (CHEBI:37960)
SYBR Green I (CHEBI:51461) is a quinolines (CHEBI:26513)
SYBR Green I (CHEBI:51461) is a tertiary amine (CHEBI:32876)
IUPAC Names 
2-{(E)-[2-{[3-(dimethylamino)propyl](propyl)amino}-1-phenylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
2-{[3-(dimethylamino)propyl](propyl)amino}-4-[(E)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium
Synonyms  Source
(E)-2-((2-((3-(dimethylamino)propyl)(propyl)amino)-1-phenylquinolin-4(1H)-ylidene)methyl)-3-methylbenzo[d]thiazol-3-iumChEBI
2-[N-(3-dimethylaminopropyl)-N-propylamino]-4-[2,3-dihydro-3-methyl-(benzo-1,3-thiazol-2-yl)-methylidene]-1-phenyl-quinoliniumChEBI
Registry NumbersSources
Beilstein:9883000Beilstein
CAS:163795-75-3ChemIDplus