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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 24838
    role 24759
      chemical role 23138
        catalyst 8533
          sulfuric acid 8494
            sulfuric acid derivative 8494
              organic sulfate 2004
                carbohydrate sulfate 1435
                  oligosaccharide sulfate 2
                    beta-D-GalpNAc3S-(1->4)-GlcpNAc 0
Path 2
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  CHEBI ontology 24838
    subatomic particle 24799
      composite particle 24799
        hadron 24799
          baryon 24799
            nucleon 24799
              atomic nucleus 24799
                atom 24799
                  main group element atom 24668
                    p-block element atom 24668
                      chalcogen 23808
                        oxygen atom 23693
                          oxygen molecular entity 23693
                            hydroxides 22944
                              oxoacid 22175
                                chalcogen oxoacid 12237
                                  sulfur oxoacid 11804
                                    sulfuric acid 8494
                                      sulfuric acid derivative 8494
                                        sulfates 8490
                                          organic sulfate 2004
                                            carbohydrate sulfate 1435
                                              oligosaccharide sulfate 2
                                                beta-D-GalpNAc3S-(1->4)-GlcpNAc 0
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