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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,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate
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Accession:CHEBI:155244 term browser browse the term
Synonyms:related_synonym: Formula=C42H73N3O40S3;   InChI=1S/C42H73N3O40S3/c1-11(49)43-14(4-46)34(23(53)15(52)7-73-38-21(44-12(2)50)27(57)35(16(5-47)77-38)83-40-31(61)29(59)24(54)18(79-40)8-74-86(64,65)66)82-42-33(63)37(26(56)20(81-42)10-76-88(70,71)72)85-39-22(45-13(3)51)28(58)36(17(6-48)78-39)84-41-32(62)30(60)25(55)19(80-41)9-75-87(67,68)69/h14-42,46-48,52-63H,4-10H2,1-3H3,(H,43,49)(H,44,50)(H,45,51)(H,64,65,66)(H,67,68,69)(H,70,71,72)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38+,39-,40-,41-,42-/m0/s1;   InChIKey=YOWQGOZDCFWUFM-WRYGGDNPSA-N;   SMILES=S(OC[C@H]1O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]2O[C@@H]([C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)COS(O)(=O)=O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](NC(=O)C)CO)[C@H](O)[C@@H](O[C@@H]4O[C@@H]([C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@H](O)[C@H]5O)COS(O)(=O)=O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]1O)(O)(=O)=O;   WURCS=2.0/3,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_a6-e1_b3-c1_c4-d1_e4-f1
 xref: GlyGen:G94850KK;   GlyTouCan:G94850KK



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      chemical role 19445
        catalyst 8290
          sulfuric acid 8239
            sulfuric acid derivative 8239
              organic sulfate 2273
                carbohydrate sulfate 1753
                  oligosaccharide sulfate 2
                    [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      chalcogen 19537
                        oxygen atom 19511
                          oxygen molecular entity 19511
                            hydroxides 19321
                              oxoacid 18742
                                chalcogen oxoacid 13764
                                  sulfur oxoacid 13552
                                    sulfuric acid 8239
                                      sulfuric acid derivative 8239
                                        sulfates 8234
                                          organic sulfate 2273
                                            carbohydrate sulfate 1753
                                              oligosaccharide sulfate 2
                                                [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate 0
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