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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:DY-652(2-)
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Accession:CHEBI:63293 term browser browse the term
Definition:An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 2-tert-butyl-4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-6,8,8-trimethyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium
Synonyms:exact_synonym: 2-{3-[2-tert-butyl-6,8,8-trimethyl-9-(3-sulfonatopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium-4-yl]prop-2-en-1-ylidene}-3-(3-carboxypropyl)-3-methyl-1-(3-sulfonatopropyl)indoline-5-sulfonate
 related_synonym: DY-652 dianion;   Formula=C41H50N2O12S3;   InChI=1S/C41H52N2O12S3/c1-27-26-40(5,6)43(19-11-21-57(49,50)51)34-25-35-31(24-30(27)34)28(22-37(55-35)39(2,3)4)12-8-13-36-41(7,17-9-14-38(44)45)32-23-29(58(52,53)54)15-16-33(32)42(36)18-10-20-56(46,47)48/h8,12-13,15-16,22-26H,9-11,14,17-21H2,1-7H3,(H3-,44,45,46,47,48,49,50,51,52,53,54)/p-2;   InChIKey=XHZRLIGGRMVDJI-UHFFFAOYSA-L;   SMILES=[H]C(=C([H])c1cc([o+]c2cc3N(CCCS([O-])(=O)=O)C(C)(C)C=C(C)c3cc12)C(C)(C)C)C([H])=C1N(CCCS([O-])(=O)=O)c2ccc(cc2C1(C)CCCC(O)=O)S([O-])(=O)=O


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Term Annotations click to browse term
  CHEBI ontology 19838
    chemical entity 19836
      molecular entity 19836
        ion 16705
          organic ion 9866
            organic anion 3615
              organosulfonate oxoanion 113
                DY-652(2-) 0
                  DY-652 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19786
                    main group molecular entity 19786
                      p-block molecular entity 19786
                        chalcogen molecular entity 19543
                          oxygen molecular entity 19518
                            oxide 12757
                              oxoanion 10303
                                chalcogen oxoanion 659
                                  sulfur oxoanion 657
                                    sulfonate 113
                                      organosulfonate oxoanion 113
                                        DY-652(2-) 0
                                          DY-652 0
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