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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:alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S
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Accession:CHEBI:71585 term browser browse the term
Definition:A linear amino trisaccharide comprising N-acetyl-alpha-neuraminic acid, beta-D-galactose and N-acetyl-6-O-sulfo-D-glucosamine residues linked sequentially (2->3) and (1->3).
Synonyms:exact_synonym: 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranose
 related_synonym: Formula=C25H42N2O22S;   InChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22?,23-,25-/m0/s1;   InChIKey=HYRSALCAGYOCTO-DIZWBPKDSA-N;   N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-6-O-sulfo-D-glucosamine;   Neu5Aca2-3Galb1-3(6S)GlcNAc;   Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc;   O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-glucopyranose, 6-(hydrogen sulfate);   SMILES=[H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](COS(O)(=O)=O)OC(O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO;   alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-GlcNAc6S
 xref: PMID:19443021;   PMID:25568069;   PMID:31537530


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  CHEBI ontology 5090
    role 5055
      biological role 5055
        epitope 35
          alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S 0
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  CHEBI ontology 5090
    subatomic particle 5081
      composite particle 5081
        hadron 5081
          baryon 5081
            nucleon 5081
              atomic nucleus 5081
                atom 5081
                  main group element atom 5051
                    p-block element atom 5048
                      chalcogen 4954
                        oxygen atom 4921
                          oxygen molecular entity 4921
                            hydroxides 4873
                              oxoacid 429
                                chalcogen oxoacid 80
                                  sulfur oxoacid 64
                                    sulfuric acid 40
                                      sulfuric acid derivative 40
                                        sulfates 39
                                          organic sulfate 17
                                            carbohydrate sulfate 12
                                              oligosaccharide sulfate 0
                                                alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S 0
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