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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-GlcNAc-(1->2)-alpha-D-Glc-(1->3)-[alpha-D-Gal-(1->6)]-D-Glc-(1->3)-[LD-Hep-(1->7)]-alpha-LD-Hep4P-(1->3)-alpha-LD-Hep4PPEtN-(1->5)-alpha-D-Kdo
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Accession:CHEBI:141201 term browser browse the term
Definition:A branched oligosaccharide derivative consisting of nine residues corresponding to the core region of Salmonella lipopolysaccharide molecules and used as a model compound in investigations on the conjugation of the O-antigen to the CRM197 carrier protein. (It should be noted that the site and degree of phosphorylation of the Hep(III) residue are uncertain, while for the PPEtN group the percentage substitution can vary according to the strain of origin and the growth conditions.)
Synonyms:exact_synonym: 2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->2)-alpha-D-galactopyranosyl-(1->3)-[alpha-D-galactopyranosyl-(1->6)]-D-glucopyranosyl-(1->3)-[L-glycero-D-manno-heptopyranosyl-(1->7)]-(4xi)-4-O-phosphono-beta-L-gulo-heptopyranosyl-(1->3)-4-O-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid
 related_synonym: Formula=C63H111N2O60P3;   InChI=1S/C63H111N2O60P3/c1-14(73)65-25-31(84)26(79)20(8-69)108-54(25)120-50-34(87)28(81)23(11-72)111-61(50)121-51-35(88)29(82)22(10-71)110-60(51)117-47-30(83)24(13-106-55-37(90)32(85)27(80)21(9-70)109-55)112-57(39(47)92)118-48-40(93)59(116-45(52(48)123-126(98,99)100)19(78)12-105-56-38(91)33(86)36(89)42(113-56)16(75)5-66)119-49-41(94)58(114-43-15(74)4-63(97,62(95)96)122-46(43)18(77)7-68)115-44(17(76)6-67)53(49)124-128(103,104)125-127(101,102)107-3-2-64/h15-61,66-72,74-94,97H,2-13,64H2,1H3,(H,65,73)(H,95,96)(H,101,102)(H,103,104)(H2,98,99,100)/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-,63-/m1/s1;   InChIKey=DPDKZCJAMTUHPV-JOPMLCTPSA-N;   SMILES=[C@]1(O)(C[C@H]([C@@H](O[C@@H]2[C@@H](O)[C@@H](O[C@@H]3[C@@H](O)[C@@H](OC4[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[C@@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O)C(OP(=O)(O)O)[C@](O3)([C@@H](O)COC9[C@@H](O)[C@@H](O)[C@H](O)[C@](O9)([C@@H](O)CO)[H])[H])[C@H](OP(=O)(O)OP(O)(=O)OCCN)[C@](O2)([C@@H](O)CO)[H])[C@](O1)([C@@H](CO)O)[H])O)C(=O)O;   Salmonella LPS core oligosaccharide;   alpha-D-GlcpNAc-(1->2)-alpha-D-Glcp-(1->3)-[alpha-D-Galp-(1->6)]-D-Glcp-(1->3)-[LD-Hepp-(1->7)]-alpha-LD-Hepp4P-(1->3)-alpha-LD-Hepp4PPEtN-(1->5)-alpha-D-Kdop
 xref: PMID:29697244;   PMID:7016539


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  CHEBI ontology 19909
    chemical entity 19907
      atom 19907
        nonmetal atom 19831
          oxygen atom 19572
            oxygen molecular entity 19572
              organooxygen compound 19216
                carbohydrates and carbohydrate derivatives 15321
                  glycan 8423
                    oligosaccharide derivative 160
                      alpha-D-GlcNAc-(1->2)-alpha-D-Glc-(1->3)-[alpha-D-Gal-(1->6)]-D-Glc-(1->3)-[LD-Hep-(1->7)]-alpha-LD-Hep4P-(1->3)-alpha-LD-Hep4PPEtN-(1->5)-alpha-D-Kdo 0
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  CHEBI ontology 19909
    subatomic particle 19907
      composite particle 19907
        hadron 19907
          baryon 19907
            nucleon 19907
              atomic nucleus 19907
                atom 19907
                  main group element atom 19846
                    p-block element atom 19846
                      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-GlcNAc-(1->2)-alpha-D-Glc-(1->3)-[alpha-D-Gal-(1->6)]-D-Glc-(1->3)-[LD-Hep-(1->7)]-alpha-LD-Hep4P-(1->3)-alpha-LD-Hep4PPEtN-(1->5)-alpha-D-Kdo 0
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