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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:6,6'-dithiobis\
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Accession:CHEBI:140659 term browser browse the term
Definition:An oligosaccharide derivative consisting of two [2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyl-(1->4)-[beta-D-galactofuranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactosyl-(1->3)-4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactosyloxy branched tetrasaccharide units linked via a dithiodihexyl 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: 6-[(6-{[2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-galactopyranosyl-(1->4)-[beta-D-galactofuranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranosyl]oxy}hexyl)disulfanyl]hexyl 2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-galactopyranosyl-(1->4)-[beta-D-galactofuranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranose
 related_synonym: 6,6'-dithiobis{1-[2-acetamido-4-amino-2,4,6-trideoxy-alpha-D-galactopyranosyl-(1->4)-[beta-D-galactofuranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranosyloxy]hexane};   6,6'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucopyranosyl-(1->4)-[beta-D-galactofuranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranosyloxy]hexane};   Formula=C74H124N6O42S2;   InChI=1S/C74H124N6O42S2/c1-27-39(75)45(91)41(77-29(3)85)63(107-27)115-55-35(23-83)109-65(43(79-31(5)87)59(55)117-69-49(95)47(93)53(113-69)33(89)21-81)119-61-51(97)67(111-37-25-105-73(7,71(99)100)121-57(37)61)103-17-13-9-11-15-19-123-124-20-16-12-10-14-18-104-68-52(98)62(58-38(112-68)26-106-74(8,122-58)72(101)102)120-66-44(80-32(6)88)60(118-70-50(96)48(94)54(114-70)34(90)22-82)56(36(24-84)110-66)116-64-42(78-30(4)86)46(92)40(76)28(2)108-64/h27-28,33-70,81-84,89-98H,9-26,75-76H2,1-8H3,(H,77,85)(H,78,86)(H,79,87)(H,80,88)(H,99,100)(H,101,102)/t27-,28-,33-,34-,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45+,46+,47-,48-,49-,50-,51-,52-,53+,54+,55+,56+,57+,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69+,70+,73-,74-/m1/s1;   InChIKey=YHGQVDVPKFKZAI-RTSTTWNMSA-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]2CO)O[C@@H]3[C@H]([C@@H](O[C@H]4[C@@H]3O[C@](OC4)(C)C(=O)O)OCCCCCCSSCCCCCCO[C@H]5[C@@H]([C@H]([C@H]6O[C@](OC[C@H]6O5)(C)C(=O)O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@@H]8[C@@H]([C@H]([C@H]([C@H](O8)C)N)O)NC(C)=O)O[C@H]9[C@@H]([C@H]([C@@](O9)([C@@H](CO)O)[H])O)O)NC(=O)C)O)O)NC(=O)C)O[C@H]%10[C@@H]([C@H]([C@@](O%10)([C@@H](CO)O)[H])O)O
 xref: PMID:29632881


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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
                  6,6'-dithiobis\ 0
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    subatomic particle 19907
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                  main group element atom 19846
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                          organic molecular entity 19781
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                              organochalcogen compound 19301
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                                  carbohydrates and carbohydrate derivatives 15321
                                    carbohydrate 15321
                                      oligosaccharide 633
                                        oligosaccharide derivative 160
                                          6,6'-dithiobis\ 0
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