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CHEBI:59529 - omocianine

Default Structure
ChEBI IDCHEBI:59529
ChEBI Nameomocianine
Stars
DefinitionA C7-cyanine dye having symmetrically-substituted 2-indolyl units at each end.
Last Modified13 September 2019
SubmitterSteve
DownloadsMolfile
FormulaC28H30N2O12S4
Net Charge0
Average Mass714.818
Monoisotopic Mass714.06816
SMILES[H]C(=CC([H])=C1Cc2cc(S(=O)(=O)O)ccc2N1CCS(=O)(=O)O)C(C)=C([H])C=C([H])C1=[N+](CCS(=O)(=O)O)c2ccc(S(=O)(=O)[O-])cc2C1
InChIInChI=1S/C28H30N2O12S4/c1-20(4-2-6-23-16-21-18-25(45(37,38)39)8-10-27(21)29(23)12-14-43(31,32)33)5-3-7-24-17-22-19-26(46(40,41)42)9-11-28(22)30(24)13-15-44(34,35)36/h2-11,18-19H,12-17H2,1H3,(H3-,31,32,33,34,35,36,37,38,39,40,41,42)
InChIKeyDVLPLZZIPHZCHO-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
omocianine (CHEBI:59529) has functional parent C7-indocyanine (CHEBI:51901)
omocianine (CHEBI:59529) has role fluorochrome (CHEBI:51217)
omocianine (CHEBI:59529) is a cyanine dye (CHEBI:37960)
IUPAC Name 
2-{4-methyl-7-[5-sulfo-1-(2-sulfoethyl)-1,3-dihydro-2H-indol-2-ylidene]hepta-1,3,5-trien-1-yl}-1-(2-sulfoethyl)-3H-indolium-5-sulfonate
INN  Source
omocianineChemIDplus
Manual XrefsDatabases
T5CPDBeChem
Registry NumbersSources
CAS:154082-13-0ChemIDplus
Citations