CHEBI:156257 - E. coli strain O157 LPS core oligosaccharide R3

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ChEBI Name E. coli strain O157 LPS core oligosaccharide R3 ChEBI ID CHEBI:156257 ChEBI ASCII Name E. coli strain O157 LPS core oligosaccharide R3 Definition A branched ten-membered oligosaccharide phosphate consisting of three galactose residues, two glucose residues, one 4-phospho-D-glycero-α-D-manno-heptose residue, one L-glycero-α-D-manno-heptose residue, one 4-phospho-L-glycero-α-D-manno-heptose residue and two Kdo residues, one of which is at the reducing end. The unit constitutes one of the core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain O157. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C67H114O64P2 Net Charge 0 Average Mass 2005.533 Monoisotopic Mass 2004.51411 InChI InChI=1S/C67H114O64P2/c68-3-14(78)42-34(92)32(90)35(93)56(117-42)111-12-18(82)45-55(131-133(108,109)110)51(41(99)61(119-45)124-50-40(98)60(118-44(16(80)5-70)54(50)130-132(105,106)107)121-48-19(2-66(104,64(100)101)128-46(48)17(81)6-71)127-67(65(102)103)1-13(77)25(83)43(129-67)15(79)4-69)123-59-39(97)49(29(87)23(10-75)114-59)122-63-53(38(96)47(24(11-76)116-63)120-57-36(94)30(88)26(84)20(7-72)112-57)126-62-52(33(91)28(86)22(9-74)115-62)125-58-37(95)31(89)27(85)21(8-73)113-58/h13-63,68-99,104H,1-12H2,(H,100,101)(H,102,103)(H2,105,106,107)(H2,108,109,110)/t13-,14+,15-,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-,63-,66-,67-/m1/s1 InChIKey VGPYKPFQJCNKMI-QMUCQOOPSA-N 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)O)CO)O[C@@H]3[C@H]([C@H](O[C@@H]([C@H]3O)CO)O[C@H]4[C@@H]([C@](O[C@H]([C@H]4O)O[C@H]5[C@@H]([C@](O[C@@H]([C@H]5O)O[C@H]6[C@](O[C@@](C[C@H]6O[C@@]7(C[C@H]([C@H]([C@](O7)([C@H](O)CO)[H])O)O)C(=O)O)(O)C(=O)O)([C@H](O)CO)[H])([C@H](CO)O)[H])OP(O)(=O)O)([C@@H](CO[C@H]8O[C@@]([C@H]([C@@H]([C@@H]8O)O)O)([C@@H](O)CO)[H])O)[H])OP(=O)(O)O)O)O[C@@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O ChEBI Ontology Outgoing E. coli strain O157 LPS core oligosaccharide R3 (CHEBI:156257) is a oligosaccharide phosphate (CHEBI:16916) IUPAC Name 3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-[β-D-galactopyranosyl-(1→4)-[α-D-galactopyranosyl-(1→2)-α-D-galactopyranosyl-(1→2)]-α-D-glucopyranosyl-(1→3)-α-D-glucopyranosyl-(1→3)-[L-glycero-α-D-manno-heptopyranosyl-(1→7)]-4-O-phosphono-D-glycero-β-D-manno-heptopyranosyl-(1→3)-4-O-phosphono-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid Synonyms Sources 3-deoxy-α-D-manno-oct-2-ulonosyl-(2→4)-[β-D-galactosyl-(1→4)-[α-D-galactosyl-(1→2)-α-D-galactosyl-(1→2)]-α-D-glucosyl-(1→3)-α-D-glucosyl-(1→3)-[L-glycero-α-D-manno-heptosyl-(1→7)]-4-O-phosphono-D-glycero-β-D-manno-heptosyl-(1→3)-4-O-phosphono-L-glycero-α-D-manno-heptosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulosonic acid ChEBI α-D-Gal-(1→2)-α-D-Gal-(1→2)-[β-D-Gal-(1→4)]-α-D-Glc-(1→3)-α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-D-α-D-Hep4P-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-Kdo ChEBI α-D-Galp-(1→2)-α-D-Galp-(1→2)-[β-D-Galp-(1→4)]-α-D-Glcp-(1→3)-α-D-Glcp-(1→3)-[L-α-D-Hepp-(1→7)]-D-α-D-Hepp4P-(1→3)-L-α-D-Hepp-(1→5)-[α-Kdop-(2→4)]-α-Kdop ChEBI Galα1-2Galα1-2(Galβ1-4)Glcα1-3Glcα1-3(LDHepα1-7)DDHep4Pβ1-3LDHep4Pα1-5(Kdoα2-4)Kdoα ChEBI Manual Xref Database CPD-21361 MetaCyc View more database links Citation Type Source 32455888 PubMed citation Europe PMC Last Modified 27 July 2020