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CHEBI:52799 - ATTO 590 meta-isomer(1+)

ChEBI IDCHEBI:52799
ChEBI NameATTO 590 meta-isomer(1+)
Stars
ASCII NameATTO 590 meta-isomer(1+)
DefinitionThe meta-isomer of ATTO 590 cation.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC37H39N2O5
Net Charge+1
Average Mass591.728
Monoisotopic Mass591.28535
SMILESCCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1ccc(C(=O)O)cc1C(=O)O)=c1cc2c(cc1O3)=[N+](CC)C(C)(C)C=C2C
InChIInChI=1S/C37H38N2O5/c1-9-38-29-16-31-27(14-24(29)20(3)18-36(38,5)6)33(23-12-11-22(34(40)41)13-26(23)35(42)43)28-15-25-21(4)19-37(7,8)39(10-2)30(25)17-32(28)44-31/h11-19H,9-10H2,1-8H3,(H-,40,41,42,43)/p+1
InChIKeyUSDJZBOGKDODDO-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 meta-isomer(1+) (CHEBI:52799) has role fluorochrome (CHEBI:51217)
ATTO 590 meta-isomer(1+) (CHEBI:52799) is a dicarboxylic acid (CHEBI:35692)
ATTO 590 meta-isomer(1+) (CHEBI:52799) is a organic cation (CHEBI:25697)
ATTO 590 meta-isomer(1+) (CHEBI:52799) is a organic heteropentacyclic compound (CHEBI:38164)
ATTO 590 meta-isomer(1+) (CHEBI:52799) is a xanthene dye (CHEBI:37929)
Incoming Relation(s)
ATTO 590 meta-isomer (CHEBI:51821) has part ATTO 590 meta-isomer(1+) (CHEBI:52799)
IUPAC Name 
6-(2,4-dicarboxyphenyl)-1,11-diethyl-2,2,4,8,10,10-hexamethyl-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium