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CHEBI:59316 - E. coli strain F653 LPS core oligosaccharide 1

ChEBI IDCHEBI:59316
ChEBI NameE. coli strain F653 LPS core oligosaccharide 1
Stars
ASCII NameE. coli strain F653 LPS core oligosaccharide 1
DefinitionA branched twelve-membered oligosaccharide phosphate consisting of one galactose residue, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-α-D-manno-heptose residues and three 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 F653.
Last Modified10 August 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC79H139N3O77P4
Net Charge0
Average Mass2486.821
Monoisotopic Mass2485.60037
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]6N)[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/C79H139N3O77P4/c80-29-39(105)33(99)22(7-87)136-67(29)148-59-38(104)26(11-91)140-75(65(59)152-74-62(44(110)35(101)24(9-89)139-74)151-70-47(113)42(108)34(100)23(8-88)137-70)147-58-37(103)25(10-90)138-71(48(58)114)149-61-50(116)73(145-54(64(61)158-162(127,128)129)20(97)12-133-69-46(112)43(109)45(111)51(143-69)16(93)3-83)150-60-49(115)72(144-53(18(95)5-85)63(60)157-161(124,125)126)146-57-21(153-79(77(119)120)1-15(92)32(98)52(154-79)17(94)4-84)2-78(76(117)118,155-55(57)19(96)6-86)135-14-28-56(156-160(121,122)123)41(107)31(82)66(142-28)134-13-27-36(102)40(106)30(81)68(141-27)159-163(130,131)132/h15-75,83-116H,1-14,80-82H2,(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
InChIKeyYZSZZMQSTXNAIN-NXQKLZQSSA-N
ChEBI Ontology
Outgoing Relation(s)
E. coli strain F653 LPS core oligosaccharide 1 (CHEBI:59316) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
2-amino-2-deoxy-α-D-glucopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→2)-α-D-glucopyranosyl-(1→2)]-α-D-galactopyranosyl-(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→4)]-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
α-D-GlcpN-(1→3)-[α-D-Glcp-(1→2)-α-D-Glcp-(1→2)]-α-D-Galp-(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→4)]-α-Kdop-(2→6)-β-D-GlcpN4P-(1→6)-α-D-GlcpN1PJCBN
E. coli R3 OS 1 coreChEBI
α-D-glucosaminyl-(1→3)-[α-D-glucosyl-(1→2)-α-D-glucosyl-(1→2)]-α-D-galactosyl-(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→4)]-3-deoxy-α-D-manno-oct-2-ulonosyl-(2→6)-4-O-phosphono-β-D-glucosaminyl-(1→6)-1-O-phosphono-α-D-glucosamineChEBI
α-D-GlcN-(1→3)-[α-D-Glc-(1→2)-α-D-Glc-(1→2)]-α-D-Gal-(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→4)]-α-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN1PChEBI
Citations