CHEBI:52958 - calcium green 1(6−)

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ChEBI Name calcium green 1(6−)
ChEBI ID CHEBI:52958
ChEBI ASCII Name calcium green 1(6-)
Definition A cationic xanthene dye-based amide comjugate.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H27Cl2N3O16
Net Charge -6
Average Mass 912.59100
Monoisotopic Mass 911.08013
InChI InChI=1S/C43H33Cl2N3O16/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)/p-6
InChIKey YSQJDHCDTNBIHZ-UHFFFAOYSA-H
SMILES [O-]C(=O)CN(CC([O-])=O)c1ccccc1OCCOc1cc(NC(=O)c2ccc3c(c2)C(=O)OC32c3cc(Cl)c([O-])cc3Oc3cc([O-])c(Cl)cc23)ccc1N(CC([O-])=O)CC([O-])=O
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via xanthene dye )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing calcium green 1(6−) (CHEBI:52958) has functional parent fluorescein (lactone form) (CHEBI:31624)
calcium green 1(6−) (CHEBI:52958) has role fluorochrome (CHEBI:51217)
calcium green 1(6−) (CHEBI:52958) is a organic anion (CHEBI:25696)
calcium green 1(6−) (CHEBI:52958) is a xanthene dye (CHEBI:37929)
Incoming calcium green 1 (CHEBI:52695) has part calcium green 1(6−) (CHEBI:52958)
IUPAC Name
[{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
Synonyms Sources
calcium green 1 cation ChEBI
calcium green 1 hexacation ChEBI
Last Modified
05 May 2021