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CHEBI:52798 - ATTO 590 para-isomer(1+)

ChEBI IDCHEBI:52798
ChEBI NameATTO 590 para-isomer(1+)
Stars
ASCII NameATTO 590 para-isomer(1+)
DefinitionThe para-isomer of ATTO 590 cation.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC36H37N2O5
Net Charge+1
Average Mass577.701
Monoisotopic Mass577.26970
SMILESCCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1cc(C(=O)O)ccc1C(=O)O)=c1cc2c(cc1O3)=[N+](CC)C(C)(C)C=C2
InChIInChI=1S/C36H36N2O5/c1-8-37-28-17-30-26(14-21(28)12-13-35(37,4)5)32(25-15-22(33(39)40)10-11-23(25)34(41)42)27-16-24-20(3)19-36(6,7)38(9-2)29(24)18-31(27)43-30/h10-19H,8-9H2,1-7H3,(H-,39,40,41,42)/p+1
InChIKeyDTNVZBLKMGRFER-UHFFFAOYSA-O
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
ATTO 590 para-isomer(1+) (CHEBI:52798) has role fluorochrome (CHEBI:51217)
ATTO 590 para-isomer(1+) (CHEBI:52798) is a dicarboxylic acid (CHEBI:35692)
ATTO 590 para-isomer(1+) (CHEBI:52798) is a organic cation (CHEBI:25697)
ATTO 590 para-isomer(1+) (CHEBI:52798) is a organic heteropentacyclic compound (CHEBI:38164)
ATTO 590 para-isomer(1+) (CHEBI:52798) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
ATTO 590 para-isomer (CHEBI:51823) has part ATTO 590 para-isomer(1+) (CHEBI:52798)
IUPAC Name 
6-(2,5-dicarboxyphenyl)-1,11-diethyl-2,2,8,10,10-pentamethyl-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium