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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:2,2'-dithiobis\
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Accession:CHEBI:140661 term browser browse the term
Definition:An oligosaccharide derivative consisting of two alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy disaccharide units linked via a dithiodiethyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).
Synonyms:exact_synonym: 2-({2-[(3-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronosyl)oxy]ethyl}disulfanyl)ethyl 3-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranosiduronic acid
 related_synonym: 2,2'-dithiobis[alpha-D-galactopyranosyluronate-(1->3)-alpha-D-galactopyranosyluronate-(1->1)-1-ethanol];   2,2'-dithiobis{1-[alpha-D-galactopyranuronosyl-(1->3)-alpha-D-galactopyranuronosyloxy]ethane};   2-[[2-[(3-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronosyl)oxy]ethyl]dithio]ethyl 3-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranosiduronic acid;   Formula=C28H42O26S2;   InChI=1S/C28H42O26S2/c29-5-7(31)17(21(39)40)53-27(9(5)33)49-15-11(35)19(23(43)44)51-25(13(15)37)47-1-3-55-56-4-2-48-26-14(38)16(12(36)20(52-26)24(45)46)50-28-10(34)6(30)8(32)18(54-28)22(41)42/h5-20,25-38H,1-4H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/t5-,6-,7+,8+,9+,10+,11+,12+,13+,14+,15-,16-,17-,18-,19-,20-,25-,26-,27-,28-/m0/s1;   InChIKey=FVPWOZLICJAVPD-GILVYGEASA-N;   SMILES=O[C@@H]1[C@@H]([C@H]([C@H](O[C@@H]1C(O)=O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)C(O)=O)OCCSSCCO[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)C(O)=O)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(O)=O)O)O)O)O)O)O)O
 xref: PMID:29632881;   Reaxys:27867044


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  CHEBI ontology 19811
    chemical entity 19840
      atom 19809
        nonmetal atom 19747
          sulfur atom 17687
            sulfur molecular entity 17715
              organosulfur compound 17334
                organic disulfide 890
                  2,2'-dithiobis\ 0
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbohydrates and carbohydrate derivatives 15269
                                    carbohydrate 15284
                                      oligosaccharide 619
                                        oligosaccharide derivative 152
                                          2,2'-dithiobis\ 0
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