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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-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc
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Accession:CHEBI:178031 term browser browse the term
Definition:A branched amino heptasaccharide consisting of an N-acetyl-alpha-D-galactosamine residue to which are linked via (1->3) and (1->6) linkages two N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl trisaccharide units.
Synonyms:exact_synonym: 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galactopyranose
 related_synonym: Formula=C52H87N5O36;   GlcNAcb1-3Galb1-4GlcNAcb1-6(GlcNAcb1-3Galb1-4GlcNAcb1-3)GalNAca;   GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-6)GalNAcalpha;   InChI=1S/C52H87N5O36/c1-13(64)53-25-35(74)30(69)18(6-58)83-48(25)92-44-32(71)20(8-60)85-51(39(44)78)89-41-22(10-62)87-47(27(37(41)76)55-15(3)66)81-12-24-34(73)43(29(46(80)82-24)57-17(5)68)91-50-28(56-16(4)67)38(77)42(23(11-63)88-50)90-52-40(79)45(33(72)21(9-61)86-52)93-49-26(54-14(2)65)36(75)31(70)19(7-59)84-49/h18-52,58-63,69-80H,6-12H2,1-5H3,(H,53,64)(H,54,65)(H,55,66)(H,56,67)(H,57,68)/t18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44+,45+,46+,47-,48+,49+,50+,51+,52+/m1/s1;   InChIKey=WKRUVYQEKCJSGU-UBPILNOPSA-N;   N-[(2S,3R,4R,5S,6R)-2-{[(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-6-{[(2R,3R,4R,5R,6S)-5-acetamido-4-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4S,5S,6R)-4-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,6-dihydroxyoxan-2-yl]methoxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;   N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosamine;   SMILES=CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](OC[C@H]3O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@@H]2CO)[C@@H]1O;   beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-alpha-D-GalNAc
 xref: PMID:31537530


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  CHEBI ontology 22208
    chemical entity 22207
      atom 22200
        nonmetal atom 22085
          oxygen atom 21446
            oxygen molecular entity 21446
              organooxygen compound 20847
                carbohydrates and carbohydrate derivatives 16049
                  glycan 8828
                    oligosaccharide derivative 154
                      amino oligosaccharide 2
                        galactosamine oligosaccharide 0
                          beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc 0
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  CHEBI ontology 22208
    subatomic particle 22200
      composite particle 22200
        hadron 22200
          baryon 22200
            nucleon 22200
              atomic nucleus 22200
                atom 22200
                  main group element atom 22134
                    p-block element atom 22134
                      carbon group element atom 21931
                        carbon atom 21857
                          organic molecular entity 21857
                            heteroorganic entity 21513
                              organochalcogen compound 21003
                                organooxygen compound 20847
                                  carbohydrates and carbohydrate derivatives 16049
                                    carbohydrate 16049
                                      oligosaccharide 618
                                        oligosaccharide derivative 154
                                          amino oligosaccharide 2
                                            galactosamine oligosaccharide 0
                                              beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc 0
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