CHEBI:59529 - omocianine

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ChEBI Name omocianine
ChEBI ID CHEBI:59529
Definition A C7-cyanine dye having symmetrically-substituted 2-indolyl units at each end.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H30N2O12S4
Net Charge 0
Average Mass 714.80400
Monoisotopic Mass 714.06816
InChI InChI=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)
InChIKey DVLPLZZIPHZCHO-UHFFFAOYSA-N
SMILES [H]C(=CC([H])=C1Cc2cc(ccc2N1CCS(O)(=O)=O)S(O)(=O)=O)C(C)=C([H])C=C([H])C1=[N+](CCS(O)(=O)=O)c2ccc(cc2C1)S([O-])(=O)=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via cyanine dye )
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ChEBI Ontology
Outgoing 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
omocianine ChemIDplus
Manual Xref Database
T5C PDBeChem
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Registry Number Type Source
154082-13-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18241888 PubMed citation Europe PMC
19798535 PubMed citation Europe PMC
21788905 PubMed citation Europe PMC
Last Modified
13 September 2019