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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,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
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Accession:CHEBI:148900 term browser browse the term
Synonyms:related_synonym: Formula=C37H59NO38S2;   InChI=1S/C37H59NO38S2/c1-7(44)38-13-25(69-34-19(51)16(48)17(49)29(73-34)31(55)56)23(75-77(59,60)61)11(5-42)67-33(13)71-27-18(50)20(52)35(74-30(27)32(57)58)72-28-22(54)37(68-12(6-43)24(28)76-78(62,63)64)70-26-15(47)10(4-41)66-36(21(26)53)65-9(3-40)14(46)8(45)2-39/h8-16,18-28,30,33-37,39-43,45-54H,2-6H2,1H3,(H,38,44)(H,55,56)(H,57,58)(H,59,60,61)(H,62,63,64)/t8-,9+,10+,11+,12+,13+,14+,15-,16-,18+,19+,20+,21+,22+,23-,24-,25+,26-,27-,28+,30-,33-,34+,35+,36+,37-/m0/s1;   InChIKey=YYVLJHDJCHDHGI-CWKAUSEASA-N;   SMILES=S(O[C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](OS(O)(=O)=O)[C@H](O[C@@H]4OC(=C(O)[C@H](O)[C@H]4O)C(O)=O)[C@H]3NC(=O)C)CO)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H](O[C@@H]1CO)O[C@H]5[C@@H](O)[C@H](O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)CO)[C@@H]5O)CO)(O)(=O)=O;   WURCS=2.0/6,6,5/[h212h][a2112h-1b_1-5][a2112h-1b_1-5_4*OSO/3=O/3=O][a2122A-1b_1-5][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2-3-4-5-6/a4-b1_b3-c1_c3-d1_d4-e1_e3-f1
 xref: GlyGen:G24436CD;   GlyTouCan:G24436CD

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  CHEBI ontology 0
    role 0
      chemical role 0
        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                carbohydrate sulfate 0
                  oligosaccharide sulfate 0
                    (2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid 0
Path 2
Term Annotations click to browse term
  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
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            carbohydrate sulfate 0
                                              oligosaccharide sulfate 0
                                                (2R,3R,4R)-2-[(2S,3R,4R,5R,6R)-3-Acetamido-2-[(2S,3S,4R,5R,6R)-2-carboxy-6-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4S)-1,3,4,5-tetrahydroxypentan-2-yl]oxyoxan-4-yl]oxy-3-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid 0
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