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CHEBI:63297 - DY-734(3−)

ChEBI IDCHEBI:63297
ChEBI NameDY-734(3−)
Stars
ASCII NameDY-734(3-)
DefinitionAn organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 7-[bis(3-sulfopropyl)amino]-2-tert-butyl-4-{5-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}chromenium.
Last Modified28 November 2011
SubmitterSteve
DownloadsMolfile
FormulaC40H49N2O15S4
Net Charge-3
Average Mass926.099
Monoisotopic Mass925.20322
SMILES[H]C(=C([H])C([H])=C1N(CCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCC(=O)O)C([H])=C([H])c1cc(C(C)(C)C)[o+]c2cc(N(CCCS(=O)(=O)[O-])CCCS(=O)(=O)[O-])ccc12
InChIInChI=1S/C40H52N2O15S4/c1-39(2,3)37-26-29(32-17-15-30(27-35(32)57-37)41(20-9-23-58(45,46)47)21-10-24-59(48,49)50)12-6-5-7-13-36-40(4,19-8-14-38(43)44)33-28-31(61(54,55)56)16-18-34(33)42(36)22-11-25-60(51,52)53/h5-7,12-13,15-18,26-28H,8-11,14,19-25H2,1-4H3,(H4-,43,44,45,46,47,48,49,50,51,52,53,54,55,56)/p-3
InChIKeyLFTFMFIQJOSXJH-UHFFFAOYSA-K
ChEBI Ontology
Outgoing Relation(s)
DY-734(3−) (CHEBI:63297) is a organosulfonate oxoanion (CHEBI:33554)
Incoming Relation(s)
DY-734 (CHEBI:51982) has part DY-734(3−) (CHEBI:63297)
IUPAC Name 
2-(5-{7-[bis(3-sulfonatopropyl)amino]-2-tert-butylchromenium-4-yl}penta-2,4-dien-1-ylidene)-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
Synonym  Source
DY-734 trianionChEBI