EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:51823 - ATTO 590 para-isomer

ChEBI IDCHEBI:51823
ChEBI NameATTO 590 para-isomer
Stars
ASCII NameATTO 590 para-isomer
Last Modified6 March 2012
SubmitterInma Spiteri
DownloadsMolfile
FormulaC36H37N2O5.ClO4
Net Charge0
Average Mass677.150
Monoisotopic Mass676.21876
SMILESCCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1cc(C(=O)O)ccc1C(=O)O)=c1cc2c(cc1O3)=[N+](CC)C(C)(C)C=C2.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C36H36N2O5.ClHO4/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;2-1(3,4)5/h10-19H,8-9H2,1-7H3,(H-,39,40,41,42);(H,2,3,4,5)
InChIKeyJWFILYKQXSGKIU-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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.
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
ATTO 590 para-isomer (CHEBI:51823) has part ATTO 590 para-isomer(1+) (CHEBI:52798)
ATTO 590 para-isomer (CHEBI:51823) has role fluorochrome (CHEBI:51217)
ATTO 590 para-isomer (CHEBI:51823) is a ATTO 590 (CHEBI:51820)
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 perchlorate
Synonym  Source
ATTO 590 free 2,5-dicarboxylic acidChEBI