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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-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo
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Accession:CHEBI:60307 term browser browse the term
Definition:An oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 8 (O67) lipopolysaccharide (LPS) core region.
Synonyms:exact_synonym: 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->2)-D-glycero-alpha-D-manno-heptopyranosyl-(1->6)-2-deoxy-2-(glycylamino)-alpha-D-glucopyranosyl-(1->4)-[L-glycero-alpha-D-manno-heptopyranosyl-(1->2)-D-glycero-alpha-D-manno-heptopyranosyl-(1->2)]-alpha-D-galactopyranuronosyl-(1->3)-[L-glycero-alpha-D-manno-heptopyranosyl-(1->7)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)-[4-amino-4-deoxy-beta-L-arabinopyranosyl-(1->8)]-[3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)]-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
 related_synonym: Formula=C93H158N5O78P;   InChI=1S/C93H158N5O78P/c1-19(107)97-35-42(122)39(119)30(13-105)155-79(35)168-73-51(131)49(129)63(24(111)9-101)160-87(73)153-17-32-41(121)43(123)36(98-34(116)6-95)80(157-32)166-71-58(138)75(170-88-74(52(132)50(130)64(161-88)25(112)10-102)169-84-56(136)46(126)48(128)62(159-84)23(110)8-100)89(172-77(71)78(141)142)165-70-57(137)68(33(176-177(148,149)154-3-2-94)18-152-82-54(134)45(125)47(127)61(158-82)22(109)7-99)163-85(59(70)139)167-72-60(140)86(162-66(27(114)12-104)76(72)171-83-55(135)44(124)40(120)31(14-106)156-83)164-69-29(173-93(91(145)146)4-21(108)38(118)65(175-93)26(113)11-103)5-92(147,90(143)144)174-67(69)28(115)16-151-81-53(133)37(117)20(96)15-150-81/h20-33,35-77,79-89,99-106,108-115,117-140,147H,2-18,94-96H2,1H3,(H,97,107)(H,98,116)(H,141,142)(H,143,144)(H,145,146)(H,148,149)/t20-,21+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32+,33-,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-,71+,72+,73-,74-,75+,76+,77-,79+,80+,81+,82-,83-,84+,85+,86+,87-,88+,89-,92+,93+/m0/s1;   InChIKey=VFCZDQUXZIATHC-UOIHODNYSA-N;   P. Penneri 8 LPS core oligosaccharide;   SMILES=O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3O[C@@]([C@H]([C@@H]([C@@H]3O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)([C@H](O)CO)[H])O)O)NC(CN)=O)C(O)=O)O[C@@H]5[C@H](O)[C@H](O[C@@]([C@H]5O)([C@@H](OP(=O)(OCCN)O)CO[C@H]6O[C@@]([C@H]([C@@H]([C@@H]6O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]7[C@H](O)[C@H](O[C@@]([C@H]7O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]9[C@@H](C[C@@](O[C@@]9([C@H](O)CO[C@@H]%10[C@@H]([C@H]([C@H](CO%10)N)O)O)[H])(C(O)=O)O)O[C@@]%11(C[C@H]([C@H]([C@](O%11)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%12O[C@@]([C@H]([C@@H]([C@@H]%12O[C@H]%13O[C@@]([C@H]([C@@H]([C@@H]%13O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H];   alpha-D-GalpNAc-(1->2)-alpha-DD-Hepp-(1->6)-alpha-D-GlcpNGly-(1->4)-[alpha-LD-Hepp-(1->2)-alpha-DD-Hepp-(1->2)]-alpha-D-GalpA-(1->3)-[alpha-LD-Hepp-(1->7)]-alpha-LD-Hepp6PEtn-(1->3)-[beta-D-Glcp-(1->4)]-alpha-LD-Hepp-(1->5)-[alpha-Kdo-(2->4)][beta-D-Arap4N-(1->8)]-alpha-Kdo;   alpha-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-GlcNGly-(1->4)-[alpha-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-GalA-(1->3)-[alpha-Hep-(1->7)]-alpha-Hep6PEtn-(1->3)-[beta-Glc-(1->4)]-alpha-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Ara4N-(1->8)]-alpha-Kdo
 xref: PMID:18373243;   PMID:27469376


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  CHEBI ontology 19909
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      atom 19907
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                carbohydrates and carbohydrate derivatives 15321
                  glycan 8423
                    oligosaccharide derivative 160
                      alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo 0
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                atom 19907
                  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
                                organooxygen compound 19216
                                  carbohydrates and carbohydrate derivatives 15321
                                    carbohydrate 15321
                                      oligosaccharide 633
                                        oligosaccharide derivative 160
                                          alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo 0
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