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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->8)-alpha-Neup5Ac
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Accession:CHEBI:62097 term browser browse the term
Definition:alpha-Neu5Ac-(2->8)-Neu5Ac in which the configuration at the anomeric carbon atom of the residue at the reducing end is alpha
Synonyms:exact_synonym: (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-alpha-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-alpha-L-threo-hex-2-ulopyranosonic acid;   (6R)-5-acetamido-6-[(1S,2R)-2-({(6R)-5-acetamido-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid;   5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
 related_synonym: (6R)-5-(acetylamino)-6-[(1S,2R)-2-({(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl}oxy)-1,3-dihydroxypropyl]-3,5-dideoxy-beta-L-threo-hex-2-ulopyranosonic acid;   DS;   Formula=C22H36N2O17;   InChI=1S/C22H36N2O17/c1-7(27)23-13-9(29)3-21(38,19(34)35)40-18(13)16(33)12(6-26)39-22(20(36)37)4-10(30)14(24-8(2)28)17(41-22)15(32)11(31)5-25/h9-18,25-26,29-33,38H,3-6H2,1-2H3,(H,23,27)(H,24,28)(H,34,35)(H,36,37)/t9-,10-,11+,12+,13+,14+,15+,16+,17+,18+,21+,22+/m0/s1;   InChIKey=LWXBZLHHWJUOSV-VCVJBUKQSA-N;   Neu5Acalpha2-8Neu5Acalpha;   NeuAc(alpha2-8)NeuAc;   NeuAc(alpha2-8)NeuAcbeta;   NeuAc(alpha2->8)NeuAcalpha;   SMILES=[H][C@]1(O[C@](O)(C[C@H](O)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@@H](CO)O[C@@]1(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O1)[C@H](O)[C@H](O)CO)C(O)=O;   WURCS=2.0/1,2,1/[Aad21122h-2a_2-6_5*NCC/3=O]/1-1/a8-b2;   alpha-Neu5Ac-(2->8)-alpha-Neu5Ac;   alpha-NeuAc-(2->8)-alpha-NeuAc;   alpha-NeupNAc-(2->8)-alpha-NeupNAc
 alt_id: CHEBI:72320
 xref: GlyGen:G87492XO;   GlyTouCan:G87492XO;   PMID:14960498;   PMID:19443021;   PMID:31537530;   Reaxys:8963482

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  CHEBI ontology 0
    role 0
      biological role 0
        epitope 0
          alpha-Neup5Ac-(2->8)-alpha-Neup5Ac 0
            alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl 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 disaccharide 0
                                              alpha-Neu5Ac-(2->8)-Neu5Ac 0
                                                alpha-Neup5Ac-(2->8)-alpha-Neup5Ac 0
                                                  alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl group 0
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