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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-Glc-(1->6)-beta-D-Gal-(1->4)-(1S)-D-GaloNAc-(1->4,6)-alpha-D-GalN-(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:136360 term browser browse the term
Definition:An oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 40 lipopolysaccharide (LPS) core region.
Synonyms:exact_synonym: 4-amino-4-deoxy-beta-L-arabinopyranosyl-(1->8)-[3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)]-[beta-D-glucopyranosyl-(1->4)-[beta-D-glucopyranosyl-(1->6)-beta-D-galactopyranosyl-(1->4)-(1S)-2-acetamido-2-dehydro-aldehydo-D-galactosyl-(1->4,6)-2-amino-2-deoxy-alpha-D-galactopyranosyl-(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)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)]-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
 related_synonym: Formula=C96H163N4O81P;   InChI=1S/C96H163N4O81P/c1-19(109)100-36(43(124)63(22(111)6-101)164-87-57(138)46(127)41(122)32(161-87)16-156-84-54(135)44(125)39(120)30(12-107)159-84)82-155-17-33-70(168-82)42(123)35(99)81(162-33)172-74-60(141)77(175-91-76(52(133)51(132)66(166-91)25(114)9-104)174-88-58(139)48(129)50(131)65(165-88)24(113)8-103)92(177-79(74)80(144)145)171-73-59(140)71(34(181-182(151,152)158-3-2-97)18-157-85-55(136)47(128)49(130)64(163-85)23(112)7-102)169-89(61(73)142)173-75-62(143)90(167-68(27(116)11-106)78(75)176-86-56(137)45(126)40(121)31(13-108)160-86)170-72-29(178-96(94(148)149)4-21(110)38(119)67(180-96)26(115)10-105)5-95(150,93(146)147)179-69(72)28(117)15-154-83-53(134)37(118)20(98)14-153-83/h20-79,81-92,101-108,110-143,150H,2-18,97-99H2,1H3,(H,100,109)(H,144,145)(H,146,147)(H,148,149)(H,151,152)/t20-,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-,71+,72+,73-,74+,75+,76-,77+,78+,79-,81+,82-,83+,84+,85-,86-,87-,88+,89+,90+,91+,92-,95+,96+/m0/s1;   InChIKey=YBESPHMAOOIVTP-FOFNEZIDSA-N;   P. Penneri 40 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]3[C@H](O2)CO[C@]([C@@H]([C@H]([C@H]([C@@H](CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)NC(C)=O)(O3)[H])O)N)C(O)=O)O[C@@H]6[C@H](O)[C@H](O[C@@]([C@H]6O)([C@@H](OP(=O)(OCCN)O)CO[C@H]7O[C@@]([C@H]([C@@H]([C@@H]7O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]8[C@H](O)[C@H](O[C@@]([C@H]8O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]%10[C@@H](C[C@@](O[C@@]%10([C@H](O)CO[C@@H]%11[C@@H]([C@H]([C@H](CO%11)N)O)O)[H])(C(O)=O)O)O[C@@]%12(C[C@H]([C@H]([C@](O%12)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%13O[C@@]([C@H]([C@@H]([C@@H]%13O[C@H]%14O[C@@]([C@H]([C@@H]([C@@H]%14O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H];   beta-D-Glcp-(1->6)-beta-D-Galp-(1->4)-(1S)-GaloNAc-(1->4,6)-alpha-D-GalpN-(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-L-Arap4N-(1->8)]-alpha-Kdo;   beta-Glc-(1->6)-beta-Gal-(1->4)-(1S)-GaloNAc-(1->4,6)-alpha-GalN-(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:27469376

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                      alpha-D-Glc-(1->6)-beta-D-Gal-(1->4)-(1S)-D-GaloNAc-(1->4,6)-alpha-D-GalN-(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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                                    carbohydrate 0
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                                        oligosaccharide derivative 0
                                          alpha-D-Glc-(1->6)-beta-D-Gal-(1->4)-(1S)-D-GaloNAc-(1->4,6)-alpha-D-GalN-(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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