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CHEBI:59284 - E. coli strain F470 LPS core oligosaccharide 1

ChEBI IDCHEBI:59284
ChEBI NameE. coli strain F470 LPS core oligosaccharide 1
Stars
ASCII NameE. coli strain F470 LPS core oligosaccharide 1
DefinitionA branched twelve-membered oligosaccharide phosphate consisting of two galactose residues, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-α-D-manno-heptose residues and two glucosamine residues, one of which is at the reducing end. The unit constitutes one of the two core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain F470.
Last Modified10 August 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC79H138N2O78P4
Net Charge0
Average Mass2487.805
Monoisotopic Mass2486.58439
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(=O)(O)O)[C@H](N)[C@@H](O)[C@@H]4O)[C@H](N)[C@@H](O)[C@@H]3OP(=O)(O)O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](OP(=O)(O)O)[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO[C@H]4O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](OP(=O)(O)O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C79H138N2O78P4/c80-29-38(104)35(101)27(141-67(29)159-163(130,131)132)13-134-66-30(81)39(105)56(156-160(121,122)123)28(142-66)14-135-78(76(117)118)2-21(153-79(77(119)120)1-15(91)31(97)52(154-79)17(93)4-83)57(55(155-78)19(95)6-85)146-72-49(115)60(63(157-161(124,125)126)53(144-72)18(94)5-84)150-73-50(116)61(64(158-162(127,128)129)54(145-73)20(96)12-133-68-45(111)42(108)44(110)51(143-68)16(92)3-82)149-71-48(114)58(36(102)25(10-89)138-71)147-75-65(59(37(103)26(11-90)140-75)148-69-46(112)40(106)32(98)22(7-86)136-69)152-74-62(43(109)34(100)24(9-88)139-74)151-70-47(113)41(107)33(99)23(8-87)137-70/h15-75,82-116H,1-14,80-81H2,(H,117,118)(H,119,120)(H2,121,122,123)(H2,124,125,126)(H2,127,128,129)(H2,130,131,132)/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-,63-,64-,65-,66-,67-,68+,69+,70-,71-,72-,73-,74-,75-,78-,79-/m1/s1
InChIKeyBHLHOMHGPUEVGI-HWBUVGAXSA-N
ChEBI Ontology
Outgoing Relation(s)
E. coli strain F470 LPS core oligosaccharide 1 (CHEBI:59284) 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-L-glycero-α-D-manno-heptopyranosyl-(1→3)-4-O-phosphono-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-amino-2-deoxy-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-amino-2-deoxy-1-O-phosphono-α-D-glucopyranose
Synonyms  Source
E. coli R1 OS 1 coreChEBI
α-Kdop-(2→4)-[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)]-L-α-D-Hepp4P-(1→3)-L-α-D-Hepp4P-(1→5)]-α-Kdop-(2→6)-β-D-GlcpN4P-(1→6)-α-D-GlcpN1PJCBN
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-L-glycero-α-D-manno-heptosyl-(1→3)-4-O-phosphono-L-glycero-α-D-manno-heptosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulonosyl-(2→6)-2-amino-2-deoxy-4-O-phosphono-β-D-glucosyl-(1→6)-2-amino-2-deoxy-1-O-phosphono-α-D-glucoseChEBI
α-Kdo-(2→4)-[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)]-L-α-D-Hep4P-(1→3)-L-α-D-Hep4P-(1→5)]-α-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN1PChEBI
Citations