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CHEBI:51821 - ATTO 590 meta-isomer

ChEBI IDCHEBI:51821
ChEBI NameATTO 590 meta-isomer
Stars
ASCII NameATTO 590 meta-isomer
Last Modified28 June 2010
SubmitterInma Spiteri
DownloadsMolfile
FormulaC37H39N2O5.ClO4
Net Charge0
Average Mass691.177
Monoisotopic Mass690.23441
SMILESCCN1c2cc3c(cc2C(C)=CC1(C)C)C(c1ccc(C(=O)O)cc1C(=O)O)=c1cc2c(cc1O3)=[N+](CC)C(C)(C)C=C2C.O=Cl(=O)(=O)[O-]
InChIInChI=1S/C37H38N2O5.ClHO4/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;2-1(3,4)5/h11-19H,9-10H2,1-8H3,(H-,40,41,42,43);(H,2,3,4,5)
InChIKeyPWZJEXGKUHVUFP-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).
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
ATTO 590 meta-isomer (CHEBI:51821) has part ATTO 590 meta-isomer(1+) (CHEBI:52799)
ATTO 590 meta-isomer (CHEBI:51821) is a ATTO 590 (CHEBI:51820)
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 perchlorate
Synonym  Source
ATTO 590 free 2,4-dicarboxylic acidChEBI