CHEBI:63295 - DY-678(3−)

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ChEBI Name DY-678(3−)
ChEBI ID CHEBI:63295
ChEBI ASCII Name DY-678(3-)
Definition An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-8,8-dimethyl-2-phenyl-6-(sulfomethyl)-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C43H45N2O15S4
Net Charge -3
Average Mass 958.08200
Monoisotopic Mass 957.17192
InChI InChI=1S/C43H48N2O15S4/c1-42(2)27-31(28-63(54,55)56)33-25-34-30(23-38(29-11-5-4-6-12-29)60-39(34)26-37(33)45(42)20-10-22-62(51,52)53)13-7-14-40-43(3,18-8-15-41(46)47)35-24-32(64(57,58)59)16-17-36(35)44(40)19-9-21-61(48,49)50/h4-7,11-14,16-17,23-27H,8-10,15,18-22,28H2,1-3H3,(H4-,46,47,48,49,50,51,52,53,54,55,56,57,58,59)/p-3
InChIKey IJKGRMHJXRTGHI-UHFFFAOYSA-K
SMILES [H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(CS([O-])(=O)=O)c3cc12)-c1ccccc1)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O
ChEBI Ontology
Outgoing DY-678(3−) (CHEBI:63295) is a organosulfonate oxoanion (CHEBI:33554)
Incoming DY-678 (CHEBI:51969) has part DY-678(3−) (CHEBI:63295)
Synonym Source
DY-678 trianion ChEBI
Last Modified
28 November 2011