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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 925
    role 878
      chemical role 668
        catalyst 41
          sulfuric acid 41
            sulfuric acid derivative 41
              organic sulfate 17
                carbohydrate sulfate 12
                  oligosaccharide sulfate 0
                    beta-D-GalpNAc3S-(1->4)-GlcpNAc 0
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                                chalcogen oxoacid 61
                                  sulfur oxoacid 52
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                                      sulfuric acid derivative 41
                                        sulfates 40
                                          organic sulfate 17
                                            carbohydrate sulfate 12
                                              oligosaccharide sulfate 0
                                                beta-D-GalpNAc3S-(1->4)-GlcpNAc 0
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