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CHEBI:52302 - Cy2 dye

Default Structure
ChEBI IDCHEBI:52302
ChEBI NameCy2 dye
Stars
Last Modified18 April 2012
SubmitterInma Spiteri
DownloadsMolfile
FormulaC29H32N2O12S2
Net Charge0
Average Mass664.711
Monoisotopic Mass664.13967
SMILES[H]C(=Cc1oc2cc(S(=O)(=O)[O-])ccc2[n+]1CCCCCC(=O)O)C([H])=C1Oc2cc(S(=O)(=O)O)ccc2N1CCCCCC(=O)O
InChIInChI=1S/C29H32N2O12S2/c32-28(33)10-3-1-5-16-30-22-14-12-20(44(36,37)38)18-24(22)42-26(30)8-7-9-27-31(17-6-2-4-11-29(34)35)23-15-13-21(45(39,40)41)19-25(23)43-27/h7-9,12-15,18-19H,1-6,10-11,16-17H2,(H3-,32,33,34,35,36,37,38,39,40,41)
InChIKeyCUMZIUDGEWDTIL-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
Cy2 dye (CHEBI:52302) has role fluorochrome (CHEBI:51217)
Cy2 dye (CHEBI:52302) is a cyanine dye (CHEBI:37960)
IUPAC Name 
3-(6-carboxyhexyl)-2-{3-[3-(5-carboxypentyl)-6-sulfo-1,3-benzoxazol-3-ium-2-yl]prop-2-en-1-ylidene}-2,3-dihydro-1,3-benzoxazole-6-sulfonate