CHEBI:52263 - SNIR1 dye

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ChEBI Name SNIR1 dye
ChEBI ID CHEBI:52263
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C34H35IKN3O7S2
Net Charge 0
Average Mass 827.79000
Monoisotopic Mass 827.05982
InChI InChI=1S/C34H36IN3O7S2.K/c1-7-38-27-16-14-23-24(18-22(46(40,41)42)19-28(23)47(43,44)45)32(27)34(4,5)30(38)12-10-8-9-11-29-33(2,3)25-17-21(36-31(39)20-35)13-15-26(25)37(29)6;/h8-19H,7,20H2,1-6H3,(H2-,36,39,40,41,42,43,44,45);/q;+1/p-1
InChIKey XLULHJSYUDKHDI-UHFFFAOYSA-M
SMILES [K+].CC[N+]1=C(/C=C/C=C/C=C2\N(C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(cc(cc21)S([O-])(=O)=O)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 SNIR1 dye (CHEBI:52263) has part SNIR1(1−) (CHEBI:52905)
SNIR1 dye (CHEBI:52263) has role fluorochrome (CHEBI:51217)
SNIR1 dye (CHEBI:52263) is a cyanine dye (CHEBI:37960)
SNIR1 dye (CHEBI:52263) is a organic potassium salt (CHEBI:50394)
IUPAC Names
potassium (2E)-3-ethyl-2-[(2E,4E)-5-{5-[(iodoacetyl)amino]-1,3,3-trimethyl-3H-indolium-2-yl}penta-2,4-dien-1-ylidene]-1,1-dimethyl-2,3-dihydro-1H-benzo[e]indole-6,8-disulfonate
potassium 3-ethyl-2-[(1E,3E,5Z)-5-{5-[(iodoacetyl)amino]-1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene}penta-1,3-dien-1-yl]-1,1-dimethyl-1H-benzo[e]indolium-6,8-disulfonate
Synonym Source
SNIR1 ChEBI
Last Modified
14 August 2009