CHEBI:59318 - E. coli strain F2513 LPS core oligosaccharide

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name E. coli strain F2513 LPS core oligosaccharide ChEBI ID CHEBI:59318 ChEBI ASCII Name E. coli strain F2513 LPS core oligosaccharide Definition A branched twelve-membered oligosaccharide phosphate consisting of three galactose residues, two 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. 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 C79H138N2O78P4 Net Charge 0 Average Mass 2487.80270 Monoisotopic Mass 2486.58439 InChI InChI=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 InChIKey BHLHOMHGPUEVGI-QELSFTBISA-N SMILES [H][C@@]1(O[C@H](OC[C@H](O)[C@@]2([H])O[C@H](O[C@@H]3[C@H](O)[C@@H](O[C@@H]4[C@@H](C[C@@](OC[C@H]5O[C@@H](OC[C@H]6O[C@H](OP(O)(O)=O)[C@H](N)[C@@H](O)[C@@H]6O)[C@H](N)[C@@H](O)[C@@H]5OP(O)(O)=O)(O[C@]4([H])[C@H](O)CO)C(O)=O)O[C@@]4(C[C@@H](O)[C@@H](O)[C@]([H])(O4)[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]3OP(O)(O)=O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](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]5O)[C@H]4O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H]2OP(O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO ChEBI Ontology Outgoing E. coli strain F2513 LPS core oligosaccharide (CHEBI:59318) is a oligosaccharide phosphate (CHEBI:16916) IUPAC Name 3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)-[β-D-galactopyranosyl-(1→3)-[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-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-2,4-dideoxy-1-O-phosphono-α-D-xylo-hexopyranose Synonyms Sources 3-deoxy-α-D-manno-oct-2-ulonosyl-(2→4)-[β-D-galactosyl-(1→3)-[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-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)-4-O-phosphono-β-D-glucosaminyl-(1→6)-2-amino-2,4-dideoxy-1-O-phosphono-α-D-xylo-hexose ChEBI α-Kdo-(2→4)-[β-D-Gal-(1→3)-[α-D-Gal-(1→2)-α-D-Gal-(1→2)]-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-GlcN1P ChEBI α-Kdop-(2→4)-[β-D-Galp-(1→3)-[α-D-Galp-(1→2)-α-D-Galp-(1→2)]-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-GlcpN1P JCBN E. coli R4 coreα-Kdop-(2→4)-[β-D-Galp-(1→3)-[α-D-Galp-(1→2)-α-D-Galp-(1→2)]-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-GlcpN1P ChEBI Citation Type Source 12716894 PubMed citation Europe PMC Last Modified 12 August 2016