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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:140645 term browser browse the term
Definition:An oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyl-(1->4)-alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy trisaccharide 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-{[2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucopyranosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->3)-alpha-D-galactopyranuronosyl]oxy}ethyl)disulfanyl]ethyl 2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucopyranosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->3)-alpha-D-galactopyranosiduronic acid
 related_synonym: 2,2'-dithiobis[2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-galactopyranosyl-(1->4)-alpha-D-galactopyranosyluronate-(1->3)-alpha-D-galactopyranosyluronate-(1->1)-1-ethanol];   2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucopyranosyl-(1->4)-alpha-D-galactopyranuronosyl-(1->3)-alpha-D-galactopyranuronosyloxy]ethane};   Formula=C44H70N4O32S2;   InChI=1S/C44H70N4O32S2/c1-9-13(45)17(51)15(47-11(3)49)39(71-9)75-29-19(53)21(55)43(79-33(29)37(65)66)73-27-23(57)31(35(61)62)77-41(25(27)59)69-5-7-81-82-8-6-70-42-26(60)28(24(58)32(78-42)36(63)64)74-44-22(56)20(54)30(34(80-44)38(67)68)76-40-16(48-12(4)50)18(52)14(46)10(2)72-40/h9-10,13-34,39-44,51-60H,5-8,45-46H2,1-4H3,(H,47,49)(H,48,50)(H,61,62)(H,63,64)(H,65,66)(H,67,68)/t9-,10-,13+,14+,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39-,40-,41+,42+,43+,44+/m1/s1;   InChIKey=ANBXMTSTABUBTI-ZUOYIZBXSA-N;   SMILES=O([C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)N)O)NC(C)=O)[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2C(O)=O)O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)C(O)=O)OCCSSCCO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(O)=O)O)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)C(O)=O)O[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N)O)NC(C)=O)O)O)O)O)O)O
 xref: PMID:29632881;   Patent:EP2845860;   Reaxys:27867024


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  CHEBI ontology 19909
    chemical entity 19907
      atom 19907
        nonmetal atom 19831
          sulfur atom 17795
            sulfur molecular entity 17795
              organosulfur compound 17518
                organic disulfide 4845
                  2,2'-dithiobis\ 0
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  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      carbon group element atom 19784
                        carbon atom 19781
                          organic molecular entity 19781
                            heteroorganic entity 19540
                              organochalcogen compound 19301
                                organooxygen compound 19216
                                  carbohydrates and carbohydrate derivatives 15321
                                    carbohydrate 15321
                                      oligosaccharide 633
                                        oligosaccharide derivative 160
                                          2,2'-dithiobis\ 0
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