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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:alpha-Neup5Ac-(2->6)-beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc6S
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Accession:CHEBI:167711 term browser browse the term
Definition:A linear amino trisaccharide comprised of N-acetyl-alpha-neuraminyl, N-acetyl-beta-D-galactosaminyl and N-acetyl-6-O-sulfo-beta-D-glucosamine residues linked sequentially (2->6) and (1->4).
Synonyms:exact_synonym: 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose
 related_synonym: Formula=C27H45N3O22S;   InChI=1S/C27H45N3O22S/c1-8(32)28-15-11(35)4-27(26(42)43,52-23(15)18(37)12(36)5-31)47-6-13-19(38)20(39)17(30-10(3)34)25(50-13)51-22-14(7-48-53(44,45)46)49-24(41)16(21(22)40)29-9(2)33/h11-25,31,35-41H,4-7H2,1-3H3,(H,28,32)(H,29,33)(H,30,34)(H,42,43)(H,44,45,46)/t11-,12+,13+,14+,15+,16+,17+,18+,19-,20+,21+,22+,23+,24+,25-,27+/m0/s1;   InChIKey=STNDFARMQMKBGA-HWDXGXKHSA-N;   N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-6-O-sulfo-beta-D-glucosamine;   Neu5Aca2-6GalNAcb1-4(6S)GlcNAcb;   Neu5Aca2-6GalNAcb1-4GlcNAc6Sb;   Neu5Acalpha2-6GalNAcbeta1-4GlcNAc6Sbeta;   SMILES=[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2COS(O)(=O)=O)[C@H](NC(C)=O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
 xref: PMID:31537530


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  CHEBI ontology 19831
    role 19807
      chemical role 19442
        catalyst 8293
          sulfuric acid 8242
            sulfuric acid derivative 8242
              organic sulfate 2275
                carbohydrate sulfate 1755
                  oligosaccharide sulfate 2
                    alpha-Neup5Ac-(2->6)-beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc6S 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              oxoacid 18744
                                chalcogen oxoacid 13770
                                  sulfur oxoacid 13558
                                    sulfuric acid 8242
                                      sulfuric acid derivative 8242
                                        sulfates 8237
                                          organic sulfate 2275
                                            carbohydrate sulfate 1755
                                              oligosaccharide sulfate 2
                                                alpha-Neup5Ac-(2->6)-beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc6S 0
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