CHEBI:156248 - E. coli strain O157 LPS core oligosaccharide R1

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ChEBI Name E. coli strain O157 LPS core oligosaccharide R1
ChEBI ID CHEBI:156248
ChEBI ASCII Name E. coli strain O157 LPS core oligosaccharide R1
Definition A branched ten-membered oligosaccharide phosphate consisting of two galactose residues, three 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
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Formula C67H114O64P2
Net Charge 0
Average Mass 2005.533
Monoisotopic Mass 2004.51411
InChI InChI=1S/C67H114O64P2/c68-3-14(78)42-35(93)33(91)36(94)56(117-42)111-12-18(82)45-54(131-133(108,109)110)51(41(99)61(119-45)124-50-40(98)60(118-44(16(80)5-70)53(50)130-132(105,106)107)120-47-19(2-66(104,64(100)101)128-46(47)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)48(29(87)23(10-75)114-59)121-63-55(49(30(88)24(11-76)116-63)122-57-37(95)31(89)26(84)20(7-72)112-57)126-62-52(34(92)28(86)22(9-74)115-62)125-58-38(96)32(90)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 DOFFBOQYBHAFST-CIFWIKEZSA-N
SMILES [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@H](O[C@@H]([C@H]2O)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 R1 (CHEBI:156248) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name
3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-[α-D-galactopyranosyl-(1→2)-α-D-galactopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-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)-[α-D-galactosyl-(1→2)-α-D-galactosyl-(1→2)-[β-D-glucosyl-(1→3)]-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-Glc-(1→3)]-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-Glcp-(1→3)]-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(Glcβ1-3)Glcα1-3Glcα1-3(LDHepα1-7)DDHep4Pβ1-3LDHep4Pα1-5(Kdoα2-4)Kdoα ChEBI
Manual Xref Database
CPD-21362 MetaCyc
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Last Modified
27 July 2020