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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 19812
    role 19761
      biological role 19761
        epitope 6975
          alpha-Neup5Ac-(2->8)-alpha-Neup5Ac 0
            alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl group 0
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  CHEBI ontology 19812
    subatomic particle 19811
      composite particle 19811
        hadron 19811
          baryon 19811
            nucleon 19811
              atomic nucleus 19811
                atom 19811
                  main group element atom 19708
                    p-block element atom 19708
                      carbon group element atom 19630
                        carbon atom 19620
                          organic molecular entity 19620
                            heteroorganic entity 19283
                              organochalcogen compound 19054
                                organooxygen compound 19004
                                  carbohydrates and carbohydrate derivatives 12341
                                    carbohydrate 12341
                                      oligosaccharide 572
                                        oligosaccharide derivative 139
                                          amino oligosaccharide 2
                                            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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