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CHEBI:52695 - calcium green 1

ChEBI IDCHEBI:52695
ChEBI Namecalcium green 1
Stars
DefinitionA xanthene dye-based amide comjugate.
Last Modified10 August 2009
SubmitterSteve
DownloadsMolfile
FormulaC43H27Cl2N3O16.6K
Net Charge0
Average Mass1147.188
Monoisotopic Mass1144.85908
SMILESO=C([O-])CN(CC(=O)[O-])c1ccccc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c([O-])cc3Oc3cc([O-])c(Cl)cc32)ccc1N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C43H33Cl2N3O16.6K/c44-27-13-25-34(15-31(27)49)63-35-16-32(50)28(45)14-26(35)43(25)24-7-5-21(11-23(24)42(60)64-43)41(59)46-22-6-8-30(48(19-39(55)56)20-40(57)58)36(12-22)62-10-9-61-33-4-2-1-3-29(33)47(17-37(51)52)18-38(53)54;;;;;;/h1-8,11-16,49-50H,9-10,17-20H2,(H,46,59)(H,51,52)(H,53,54)(H,55,56)(H,57,58);;;;;;/q;6*+1/p-6
InChIKeyAMKVJCBQCWSOLQ-UHFFFAOYSA-H
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
calcium green 1 (CHEBI:52695) has functional parent fluorescein (lactone form) (CHEBI:31624)
calcium green 1 (CHEBI:52695) has part calcium green 1(6−) (CHEBI:52958)
calcium green 1 (CHEBI:52695) has role fluorochrome (CHEBI:51217)
calcium green 1 (CHEBI:52695) is a organic potassium salt (CHEBI:50394)
calcium green 1 (CHEBI:52695) is a xanthene dye (CHEBI:37929)
IUPAC Name 
hexapotassium [{2-[2-(2-[bis(carboxylatomethyl)amino]-5-{[(2',7'-dichloro-3',6'-dioxido-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl)carbonyl]amino}phenoxy)ethoxy]phenyl}(carboxylatomethyl)amino]acetate
Registry NumbersSources
Beilstein:8536097Beilstein