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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-GalpNAc-(1->4)-[alpha-Neup5Gc-(2->3)]-beta-D-Galp
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Accession:CHEBI:133503 term browser browse the term
Definition:An amino trisaccharide consisting of N-acetyl-beta-D-galactosaminyl and 5-glycoloyl-alpha-neuraminyl residues linked respectively (1->4) and (2->3) to beta-D-galactose.
Synonyms:exact_synonym: 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranose
 related_synonym: Formula=C25H42N2O19;   GalNAcbeta1-4[NeuGcalpha2-3]Gal;   InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-18(38)22(39)42-12(6-30)19(21)44-23-14(27-8(2)32)17(37)16(36)11(5-29)43-23/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19-,20+,21+,22+,23-,25-/m0/s1;   InChIKey=KWKKUWAYFCZFPG-WZWAJIPQSA-N;   N-acetyl-beta-D-galactosaminyl-(1->4)-[5-glycoloyl-alpha-neuraminyl-(2->3)]-beta-D-galactose;   SMILES=O[C@@H]([C@H]([C@]1([C@@H]([C@H](C[C@@](O1)(C(=O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O)CO)O)O)O)NC(C)=O)[H])O)CO;   WURCS=2.0/3,3,2/[a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a3-b2_a4-c1;   beta-D-GalNAc-(1->4)-[alpha-Neu5Gc-(2->3)]-beta-D-Gal
 xref: GlyGen:G45058HZ;   GlyTouCan:G45058HZ;   PMID:2449247


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  CHEBI ontology 0
    role 0
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        epitope 0
          beta-D-GalpNAc-(1->4)-[alpha-Neup5Gc-(2->3)]-beta-D-Galp 0
            beta-D-GalpNAc-(1->4)-[alpha-Neup5Gc-(2->3)]-beta-D-Galp-(1->4)-R group + 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
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      oligosaccharide 0
                                        oligosaccharide derivative 0
                                          amino oligosaccharide 0
                                            amino trisaccharide 0
                                              beta-D-GalpNAc-(1->4)-[alpha-Neup5Gc-(2->3)]-beta-D-Galp 0
                                                beta-D-GalpNAc-(1->4)-[alpha-Neup5Gc-(2->3)]-beta-D-Galp-(1->4)-R group + 0
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