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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-D-GlcpNAc-(1->4)-beta-D-Manp2NAc3NAcA-(1->3)-beta-L-FucpNAc4NMe-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcpN-(1->4)-[alpha-D-GalpNA-(1->6)]-beta-D-Glcp-(1->4)-\{alpha-D-GlcpN-(1->7)-[alpha-D-GlcpA-(1->2)]-D-alpha-D-Hepp-(1->3)\}-L-alpha-D-Hepp-(1->5)-alpha-Kdop
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Accession:CHEBI:177879 term browser browse the term
Definition:A twelve-residue oligosaccharide derivative that comprises the core oligosaccharide and distal trisaccharide of the oligosaccharide segment of Bordetella pertussis strain 186 lipooligosaccharide.
Synonyms:exact_synonym: 2-acetamido-2-deoxy-D-glucopyranosyl-(1->4)-2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronosyl-(1->3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-alpha-D-glucopyranosyl-(1->6)-[D-mannopyranosyl-(1->4)]-2-amino-2-deoxy-D-glucopyranosyl-(1->4)-[2-amino-2-deoxy-alpha-D-galactopyranuronosyl-(1->6)]-D-glucopyranosyl-(1->4)-[2-amino-2-deoxy-alpha-D-glucopyranosyl-(1->7)-[D-glucopyranuronosyl-(1->2)]-D-glycero-alpha-D-manno-heptopyranosyl-(1->3)]-L-glycero-D-manno-heptopyranosyl-(1->5)-3-deoxy-beta-L-galacto-oct-2-ulopyranosonic acid
 related_synonym: 2-acetamido-2-deoxy-D-glucosyl-(1->4)-2,3-diacetamido-2,3-dideoxy-beta-D-mannuronosyl-(1->3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-alpha-D-glucosyl-(1->6)-[D-mannosyl-(1->4)]-2-amino-2-deoxy-D-glucosyl-(1->4)-[2-amino-2-deoxy-alpha-D-galacturonosyl-(1->6)]-D-glucosyl-(1->4)-[2-amino-2-deoxy-alpha-D-glucosyl-(1->7)-[D-glucuronosyl-(1->2)]-D-glycero-alpha-D-manno-heptosyl-(1->3)]-L-glycero-D-manno-heptosyl-(1->5)-3-deoxy-beta-L-galacto-oct-2-ulosonic acid;   Formula=C86H142N8O64;   InChI=1S/C86H142N8O64/c1-16-33(90-6)63(150-78-35(92-18(3)101)34(91-17(2)100)64(70(157-78)73(131)132)151-79-36(93-19(4)102)43(114)39(110)27(12-99)141-79)37(94-20(5)103)77(139-16)138-15-28-61(149-81-52(123)44(115)47(118)56(144-81)22(105)8-95)42(113)32(89)76(142-28)148-62-29(14-137-75-31(88)41(112)46(117)66(153-75)71(127)128)143-80(54(125)51(62)122)156-69-59(23(106)9-96)147-83(146-58-21(104)7-86(135,85(133)134)158-60(58)24(107)10-97)55(126)65(69)152-84-68(155-82-53(124)45(116)48(119)67(154-82)72(129)130)50(121)49(120)57(145-84)25(108)13-136-74-30(87)40(111)38(109)26(11-98)140-74/h16,21-70,74-84,90,95-99,104-126,135H,7-15,87-89H2,1-6H3,(H,91,100)(H,92,101)(H,93,102)(H,94,103)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t16-,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-,53+,54+,55-,56+,57+,58+,59+,60+,61+,62+,63+,64-,65+,66-,67-,68-,69+,70-,74-,75-,76+,77-,78+,79+,80-,81+,82+,83-,84+,86+/m0/s1;   InChIKey=ONADRDGYOUSVCJ-DCXUNJRPSA-N;   N-acetyl-D-glucosaminyl-(1->4)-2,3-diacetamido-2,3-dideoxy-beta-D-mannopyranuronosyl-(1->3)-N-acetyl-4-deoxy-4-(methylamino)-alpha-D-fucosaminyl-(1->6)-[L-glycero-alpha-D-manno-heptosyl-(1->4)]-alpha-D-glucosaminyl-(1->4)-[2-amino-2-deoxy-alpha-D-galacturonosyl-(1->6)]-beta-D-glucosyl-(1->4)-[alpha-D-glucosaminyl-(1->7)-[alpha-D-glucuronosyl-(1->2)]-D-glycero-alpha-D-manno-heptosyl-(1->3)]-L-glycero-alpha-D-manno-heptosyl-(1->5)-3-deoxy-beta-L-galacto-oct-2-ulosonic acid;   SMILES=[H][C@@]1(O[C@H](O[C@H]2[C@H](O)[C@@H](N)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5O[C@]([H])([C@H](O)CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6N)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@H](O)[C@@H](O[C@@H]5[C@H](O)C[C@@](O)(O[C@]5([H])[C@H](O)CO)C(O)=O)O[C@]4([H])[C@@H](O)CO)O[C@@H]3CO[C@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3N)C(O)=O)O[C@@H]2CO[C@H]2O[C@@H](C)[C@@H](NC)[C@@H](O[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](NC(C)=O)[C@@H]3NC(C)=O)C(O)=O)[C@@H]2NC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO
 xref: PMID:34199173


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  CHEBI ontology 19909
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          oxygen atom 19572
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                carbohydrates and carbohydrate derivatives 15321
                  glycan 8423
                    oligosaccharide derivative 160
                      alpha-D-GlcpNAc-(1->4)-beta-D-Manp2NAc3NAcA-(1->3)-beta-L-FucpNAc4NMe-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcpN-(1->4)-[alpha-D-GalpNA-(1->6)]-beta-D-Glcp-(1->4)-\{alpha-D-GlcpN-(1->7)-[alpha-D-GlcpA-(1->2)]-D-alpha-D-Hepp-(1->3)\}-L-alpha-D-Hepp-(1->5)-alpha-Kdop 0
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                  main group element atom 19846
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                      carbon group element atom 19784
                        carbon atom 19781
                          organic molecular entity 19781
                            heteroorganic entity 19540
                              organochalcogen compound 19301
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                                  carbohydrates and carbohydrate derivatives 15321
                                    carbohydrate 15321
                                      oligosaccharide 633
                                        oligosaccharide derivative 160
                                          alpha-D-GlcpNAc-(1->4)-beta-D-Manp2NAc3NAcA-(1->3)-beta-L-FucpNAc4NMe-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcpN-(1->4)-[alpha-D-GalpNA-(1->6)]-beta-D-Glcp-(1->4)-\{alpha-D-GlcpN-(1->7)-[alpha-D-GlcpA-(1->2)]-D-alpha-D-Hepp-(1->3)\}-L-alpha-D-Hepp-(1->5)-alpha-Kdop 0
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