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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 5164
    chemical entity 5164
      atom 5155
        nonmetal atom 5120
          nitrogen atom 529
            nitrogen molecular entity 529
              organonitrogen compound 413
                carboxamide 208
                  acetamides 60
                    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
Path 2
Term Annotations click to browse term
  CHEBI ontology 5164
    subatomic particle 5155
      composite particle 5155
        hadron 5155
          baryon 5155
            nucleon 5155
              atomic nucleus 5155
                atom 5155
                  main group element atom 5127
                    p-block element atom 5124
                      chalcogen 5021
                        oxygen atom 4990
                          oxygen molecular entity 4990
                            hydroxides 4943
                              oxoacid 432
                                chalcogen oxoacid 79
                                  sulfur oxoacid 64
                                    sulfuric acid 40
                                      sulfuric acid derivative 40
                                        sulfates 39
                                          organic sulfate 17
                                            carbohydrate sulfate 12
                                              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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