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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)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
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Accession:CHEBI:87450 term browser browse the term
Definition:A linear amino tetrasaccharide comprised of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->3), (1->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-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
 related_synonym: Formula=C33H55N3O24;   InChI=1S/C33H55N3O24/c1-9(41)34-17-12(44)4-33(32(52)53,59-27(17)20(46)13(45)5-37)60-28-23(49)16(8-40)56-31(24(28)50)58-26-19(36-11(3)43)30(55-15(7-39)22(26)48)57-25-18(35-10(2)42)29(51)54-14(6-38)21(25)47/h12-31,37-40,44-51H,4-8H2,1-3H3,(H,34,41)(H,35,42)(H,36,43)(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=XUODHOBHGNCZSD-ZQZDFFEHSA-N;   N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-alpha-D-galactosamine;   Neu5Aca2-3Galb1-3GlcNAcb1-3GalNAca;   Neu5Acalpha2-3Galbeta1-3GlcNAcbeta1-3GalNAcalpha;   SMILES=CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]4NC(C)=O)[C@@H]3NC(C)=O)[C@@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O;   WURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_b3-c1_c3-d2;   alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-GalNAc
 xref: GlyGen:G51162XR;   GlyTouCan:G51162XR;   PMID:25568069;   PMID:31537530


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  CHEBI ontology 19808
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          oxygen atom 19432
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                carbohydrates and carbohydrate derivatives 12344
                  glycan 3254
                    oligosaccharide derivative 138
                      amino oligosaccharide 2
                        galactosamine oligosaccharide 0
                          alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc 0
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                                  carbohydrates and carbohydrate derivatives 12344
                                    carbohydrate 12344
                                      oligosaccharide 571
                                        oligosaccharide derivative 138
                                          amino oligosaccharide 2
                                            galactosamine oligosaccharide 0
                                              alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc 0
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