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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:[(2R,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
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Accession:CHEBI:147772 term browser browse the term
Synonyms:related_synonym: 3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose;   Formula=C26H45NO27S2;   Gal3S(b1-3)GalNAc(b1-4)Gal3S(?1-4)b-Glc;   InChI=1S/C26H45NO27S2/c1-6(32)27-11-20(52-25-16(37)21(53-55(40,41)42)13(34)8(3-29)48-25)12(33)7(2-28)47-24(11)51-19-10(5-31)49-26(17(38)22(19)54-56(43,44)45)50-18-9(4-30)46-23(39)15(36)14(18)35/h7-26,28-31,33-39H,2-5H2,1H3,(H,27,32)(H,40,41,42)(H,43,44,45)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24+,25+,26?/m1/s1;   InChIKey=QQBJQVWNXPDNQN-KIEOIEQOSA-N;   SMILES=S(O[C@H]1[C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](OS(O)(=O)=O)[C@H]3O)CO)[C@H]2NC(=O)C)CO)[C@H](OC(O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@@H]4CO)O)[C@@H]1O)CO)(O)(=O)=O;   WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1x_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d1
 xref: GlyGen:G14815EY;   GlyTouCan:G14815EY

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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                carbohydrates and carbohydrate derivatives 0
                  glycan 0
                    oligosaccharide 0
                      [(2R,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      oligosaccharide 0
                                        [(2R,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate 0
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