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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:(2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
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Accession:CHEBI:157398 term browser browse the term
Synonyms:related_synonym: Formula=C33H55N3O24;   Gal(b1-3)GlcNAc(?1-3)[NeuAc(a2-6)]a-GalNAc;   InChI=1S/C33H55N3O24/c1-9(40)34-17-12(43)4-33(32(52)53,60-28(17)20(45)13(44)5-37)54-8-16-23(48)26(18(29(51)55-16)35-10(2)41)58-30-19(36-11(3)42)27(22(47)15(7-39)56-30)59-31-25(50)24(49)21(46)14(6-38)57-31/h12-31,37-39,43-51H,4-8H2,1-3H3,(H,34,40)(H,35,41)(H,36,42)(H,52,53)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24-,25+,26+,27+,28+,29-,30?,31-,33+/m0/s1;   InChIKey=XYIZBPCRLINKPW-HLEZLZGOSA-N;   SMILES=O([C@H]1[C@@H](O)[C@H](O[C@H](O)[C@@H]1NC(=O)C)CO[C@]2(O[C@H]([C@H](NC(=O)C)[C@@H](O)C2)[C@H](O)[C@H](O)CO)C(O)=O)C3O[C@@H]([C@@H](O)[C@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3NC(=O)C)CO;   WURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_a6-d2_b3-c1;   beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose
 xref: GlyGen:G00041IL;   GlyTouCan:G00041IL


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  CHEBI ontology 22306
    chemical entity 22305
      atom 22301
        nonmetal atom 22131
          oxygen atom 21489
            oxygen molecular entity 21489
              organooxygen compound 20895
                carbohydrates and carbohydrate derivatives 16060
                  (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22306
    subatomic particle 22301
      composite particle 22301
        hadron 22301
          baryon 22301
            nucleon 22301
              atomic nucleus 22301
                atom 22301
                  main group element atom 22181
                    p-block element atom 22181
                      carbon group element atom 21983
                        carbon atom 21923
                          organic molecular entity 21923
                            heteroorganic entity 21563
                              organochalcogen compound 21047
                                organooxygen compound 20895
                                  carbohydrates and carbohydrate derivatives 16060
                                    (2R,4S,5R,6R)-5-Acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-4-[(3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid 0
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