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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:Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S
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Accession:CHEBI:146580 term browser browse the term
Definition:A Delta(4)-beta-D-GlcpA-(1->3)-D-GalpNAc4S in which the the carbon bearing the anomeric hydroxy group has beta- configuration.
Synonyms:exact_synonym: 2-acetamido-2-deoxy-3-O-alpha-L-threo-hex-4-enopyranuronosyl-4-O-sulfo-beta-D-galactopyranose
 related_synonym: (2R,3R,4R)-2-[(2R,3R,4R,5R,6R)-3-acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid;   Formula=C14H21NO15S;   InChI=1S/C14H21NO15S/c1-3(17)15-5-10(9(30-31(24,25)26)4(2-16)27-13(5)23)28-14-8(20)6(18)7(19)11(29-14)12(21)22/h4-6,8-10,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6+,8-,9+,10-,13-,14-/m1/s1;   InChIKey=YEYRBRVYMZJMFB-FPHHQEDQSA-N;   SMILES=O1[C@@H]([C@H](OS(O)(=O)=O)[C@H](O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](NC(=O)C)[C@@H]1O)CO;   WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O][a21EEA-1a_1-5]/1-2/a3-b1
 xref: GlyGen:G01825JS;   GlyTouCan:G01825JS


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          nitrogen atom 0
            nitrogen molecular entity 0
              organonitrogen compound 0
                carboxamide 0
                  acetamides 0
                    Delta(4)-beta-D-GlcpA-(1->3)-D-GalpNAc4S 0
                      Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S 0
                        Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc4S 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            carbohydrate sulfate 0
                                              monosaccharide sulfate 0
                                                hexosamine sulfate 0
                                                  galactosamine sulfate 0
                                                    N-acetyl-beta-D-galactosamine 6-sulfate 0
                                                      Delta(4)-beta-D-GlcpA-(1->3)-beta-D-GalpNAc4S 0
                                                        Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc4S 0
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