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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-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:136356 term browser browse the term
Definition:An oligosaccharide derivative that is a undecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 13 lipopolysaccharide (LPS) core region. Structural variations can occur: the alpha-LD-Hep substituent linked (1->7) to alpha-LD-Hep6PEtn may be further substituted (1->7) by a beta-D-GalAN residue; if so, then the [alpha-LD-Hep-(1->2)-alpha-DD-Hep branch linked (1->2) to alpha-D-GalA may be absent.
Synonyms:exact_synonym: 4-amino-4-deoxy-beta-L-arabinopyranosyl-(1->8)-[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)-[beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)]-[3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)]-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
 related_synonym: Formula=C76H130N3O66P;   InChI=1S/C76H130N3O66P/c77-1-2-126-146(121,122)145-26(14-125-66-41(107)34(100)36(102)48(129-66)17(88)5-80)54-44(110)56(135-72-60(45(111)57(62(141-72)63(114)115)136-64-27(79)32(98)30(96)24(10-85)127-64)139-71-59(39(105)38(104)50(131-71)19(90)7-82)138-68-43(109)35(101)37(103)49(130-68)18(89)6-81)46(112)69(133-54)137-58-47(113)70(132-52(21(92)9-84)61(58)140-67-42(108)33(99)31(97)25(11-86)128-67)134-55-23(142-76(74(118)119)3-16(87)29(95)51(144-76)20(91)8-83)4-75(120,73(116)117)143-53(55)22(93)13-124-65-40(106)28(94)15(78)12-123-65/h15-62,64-72,80-113,120H,1-14,77-79H2,(H,114,115)(H,116,117)(H,118,119)(H,121,122)/t15-,16+,17-,18-,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+,53+,54+,55+,56-,57+,58+,59-,60+,61+,62-,64+,65+,66-,67-,68+,69+,70+,71+,72-,75+,76+/m0/s1;   InChIKey=MXRHIKHPVZCUQI-PUKPJFHPSA-N;   P. Penneri 13 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)O)O)N)C(O)=O)O[C@@H]3[C@H](O)[C@H](O[C@@]([C@H]3O)([C@@H](OP(=O)(OCCN)O)CO[C@H]4O[C@@]([C@H]([C@@H]([C@@H]4O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]5[C@H](O)[C@H](O[C@@]([C@H]5O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]7[C@@H](C[C@@](O[C@@]7([C@H](O)CO[C@@H]8[C@@H]([C@H]([C@H](CO8)N)O)O)[H])(C(=O)O)O)O[C@@]9(C[C@H]([C@H]([C@](O9)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%10O[C@@]([C@H]([C@@H]([C@@H]%10O[C@H]%11O[C@@]([C@H]([C@@H]([C@@H]%11O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H];   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;   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-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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                                          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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