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CHEBI:52259 - QSY9 succinimidyl ester

ChEBI IDCHEBI:52259
ChEBI NameQSY9 succinimidyl ester
Stars
Last Modified31 July 2009
SubmitterInma Spiteri
DownloadsMolfile
Formula2H.C43H37N4O13S3.Cl
Net Charge0
Average Mass951.454
Monoisotopic Mass950.13643
SMILESCN(c1ccc(S(=O)(=O)[O-])cc1)c1ccc2c(-c3ccccc3S(=O)(=O)N3CCC(C(=O)ON4C(=O)CCC4=O)CC3)c3cc/c(=[N+](/C)c4ccc(S(=O)(=O)[O-])cc4)cc-3oc2c1.[Cl-].[H+].[H+]
InChIInChI=1S/C43H38N4O13S3.ClH/c1-44(28-7-13-32(14-8-28)62(53,54)55)30-11-17-34-37(25-30)59-38-26-31(45(2)29-9-15-33(16-10-29)63(56,57)58)12-18-35(38)42(34)36-5-3-4-6-39(36)61(51,52)46-23-21-27(22-24-46)43(50)60-47-40(48)19-20-41(47)49;/h3-18,25-27H,19-24H2,1-2H3,(H-,53,54,55,56,57,58);1H
InChIKeyPAOKYIAFAJVBKU-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
QSY9 succinimidyl ester (CHEBI:52259) has part QSY9 succinimidyl ester(1+) (CHEBI:52891)
QSY9 succinimidyl ester (CHEBI:52259) has role fluorochrome (CHEBI:51217)
QSY9 succinimidyl ester (CHEBI:52259) is a organic chloride salt (CHEBI:36094)
QSY9 succinimidyl ester (CHEBI:52259) is a xanthene dye (CHEBI:37929)
IUPAC Name 
N-(9-{2-[(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)sulfonyl]phenyl}-6-[methyl(4-sulfophenyl)amino]-3H-xanthen-3-ylidene)-N-methyl-4-sulfoanilinium chloride
Synonym  Source
QSY 9ChEBI