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CHEBI:52889 - QSY21 succinimidyl ester(1+)

ChEBI IDCHEBI:52889
ChEBI NameQSY21 succinimidyl ester(1+)
Stars
DefinitionA cationic fluorescent dye derived from 9-phenylxanthene.
Last Modified31 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC45H39N4O7S
Net Charge+1
Average Mass779.895
Monoisotopic Mass779.25340
SMILESO=C(ON1C(=O)CCC1=O)C1CCN(S(=O)(=O)c2ccccc2-c2c3ccc(=[N+]4Cc5ccccc5C4)cc-3oc3cc(N4Cc5ccccc5C4)ccc23)CC1
InChIInChI=1S/C45H39N4O7S/c50-42-17-18-43(51)49(42)56-45(52)29-19-21-48(22-20-29)57(53,54)41-12-6-5-11-38(41)44-36-15-13-34(46-25-30-7-1-2-8-31(30)26-46)23-39(36)55-40-24-35(14-16-37(40)44)47-27-32-9-3-4-10-33(32)28-47/h1-16,23-24,29H,17-22,25-28H2/q+1
InChIKeyLCFGPDFLDYPBCY-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
QSY21 succinimidyl ester(1+) (CHEBI:52889) has role fluorochrome (CHEBI:51217)
QSY21 succinimidyl ester(1+) (CHEBI:52889) is a iminium ion (CHEBI:35286)
QSY21 succinimidyl ester(1+) (CHEBI:52889) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
QSY21 succinimidyl ester (CHEBI:52252) has part QSY21 succinimidyl ester(1+) (CHEBI:52889)
IUPAC Name 
2-[6-(1,3-dihydro-2H-isoindol-2-yl)-9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-3H-xanthen-3-ylidene]-2,3-dihydro-1H-isoindolium