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CHEBI:52074 - EVOblue-30 dye

ChEBI IDCHEBI:52074
ChEBI NameEVOblue-30 dye
Stars
Last Modified28 November 2011
SubmitterInma Spiteri
DownloadsMolfile
FormulaC21H25N3O6S
Net Charge0
Average Mass447.513
Monoisotopic Mass447.14641
SMILESCCN(CCCS(=O)(=O)[O-])c1ccc2nc3ccc(=[N+](C)CCC(=O)O)cc-3oc2c1
InChIInChI=1S/C21H25N3O6S/c1-3-24(10-4-12-31(27,28)29)16-6-8-18-20(14-16)30-19-13-15(5-7-17(19)22-18)23(2)11-9-21(25)26/h5-8,13-14H,3-4,9-12H2,1-2H3,(H-,25,26,27,28,29)
InChIKeyRCTKCVWZEGPPCK-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
EVOblue-30 dye (CHEBI:52074) has role fluorochrome (CHEBI:51217)
EVOblue-30 dye (CHEBI:52074) is a iminium betaine (CHEBI:35285)
IUPAC Name 
3-[{3-[(2-carboxyethyl)(methyl)iminio]-3H-phenoxazin-7-yl}(ethyl)amino]propane-1-sulfonate