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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:beta-D-GalpNAc3S-(1->4)-GlcpNAc
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Accession:CHEBI:155419 term browser browse the term
Definition:An amino disaccharide that consists of N-acetyl-D-glucosamine having a 3-sulfated N-acetyl-beta-D-galactosaminyl residue attached at position 4.
Synonyms:exact_synonym: 2-acetamido-2-deoxy-3-O-sulfo-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
 related_synonym: (3S)GalNAcb1-4GlcNAc;   2-acetamido-2-deoxy-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose;   2-acetamido-4-O-(2-acetamido-2-deoxy-3-O-sulfo-beta-D-galactopyranosyl)-2-deoxy-D-glucopyranose;   Formula=C16H28N2O14S;   GaNAc3Sbeta1-4GlcNAc;   GalNAc3S(b1-4)GlcNAc;   InChI=1S/C16H28N2O14S/c1-5(21)17-9-12(24)13(8(4-20)29-15(9)25)31-16-10(18-6(2)22)14(32-33(26,27)28)11(23)7(3-19)30-16/h7-16,19-20,23-25H,3-4H2,1-2H3,(H,17,21)(H,18,22)(H,26,27,28)/t7-,8-,9-,10-,11+,12-,13-,14-,15?,16+/m1/s1;   InChIKey=KECGTZWGRWMZOT-CAQKAZPESA-N;   SMILES=CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2NC(C)=O)[C@@H]1O;   WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O_3*OSO/3=O/3=O]/1-2/a4-b1;   [(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate;   beta-D-GalNAc3S-(1->4)-GlcNAc
 xref: GlyGen:G95608GJ;   GlyTouCan:G95608GJ;   PMID:31537530



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  CHEBI ontology 19800
    role 19751
      chemical role 19320
        catalyst 8075
          sulfuric acid 8025
            sulfuric acid derivative 8025
              organic sulfate 1947
                carbohydrate sulfate 1420
                  oligosaccharide sulfate 2
                    beta-D-GalpNAc3S-(1->4)-GlcpNAc 0
Path 2
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  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      chalcogen 19450
                        oxygen atom 19423
                          oxygen molecular entity 19423
                            hydroxides 19158
                              oxoacid 18472
                                chalcogen oxoacid 11498
                                  sulfur oxoacid 11106
                                    sulfuric acid 8025
                                      sulfuric acid derivative 8025
                                        sulfates 8021
                                          organic sulfate 1947
                                            carbohydrate sulfate 1420
                                              oligosaccharide sulfate 2
                                                beta-D-GalpNAc3S-(1->4)-GlcpNAc 0
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