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CHEBI:71695 - α-D-Glc-(1→3)-L-α-D-Hep4P-(1→3)-L-α-D-Hep4P-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-Glc1P

ChEBI IDCHEBI:71695
ChEBI Nameα-D-Glc-(1→3)-L-α-D-Hep4P-(1→3)-L-α-D-Hep4P-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-Glc1P
Stars
ASCII Namealpha-D-Glc-(1->3)-L-alpha-D-Hep4P-(1->3)-L-alpha-D-Hep4P-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-beta-D-GlcN4P-(1->6)-alpha-D-Glc1P
DefinitionAn amino octasaccharide made up from one α-D-glucose residue, two monophosphorylated L-α-D-Hep residues, two α-Kdo residues and two monophosphorylated α-D-glucosamine residues (one of which is at the reducing end).
Last Modified24 January 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC48H85N2O49P3
Net Charge0
Average Mass1567.095
Monoisotopic Mass1566.34338
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](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C48H85N2O49P3/c49-19-24(64)23(63)17(87-41(19)99-102(81,82)83)8-84-40-20(50)25(65)35(97-100(75,76)77)18(88-40)9-85-47(45(71)72)2-15(94-48(46(73)74)1-10(56)21(61)32(95-48)12(58)4-52)36(34(96-47)14(60)6-54)91-44-30(70)38(39(98-101(78,79)80)33(90-44)13(59)5-53)93-43-29(69)37(28(68)31(89-43)11(57)3-51)92-42-27(67)26(66)22(62)16(7-55)86-42/h10-44,51-70H,1-9,49-50H2,(H,71,72)(H,73,74)(H2,75,76,77)(H2,78,79,80)(H2,81,82,83)/t10-,11+,12-,13+,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-,47-,48-/m1/s1
InChIKeyMIUNINGOZJXZOX-FAZJEDLQSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Glc-(1→3)-L-α-D-Hep4P-(1→3)-L-α-D-Hep4P-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-Glc1P (CHEBI:71695) is a amino octasaccharide (CHEBI:71060)
α-D-Glc-(1→3)-L-α-D-Hep4P-(1→3)-L-α-D-Hep4P-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-Glc1P (CHEBI:71695) is a glucosamine oligosaccharide (CHEBI:22485)
α-D-Glc-(1→3)-L-α-D-Hep4P-(1→3)-L-α-D-Hep4P-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-Glc1P (CHEBI:71695) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
α-D-glucopyranosyl-(1→3)-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-Glcp-(1→3)-L-α-D-Hepp4P-(1→3)-L-α-D-Hepp4P-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcpN4P-(1→6)-α-D-Glcp1PIUPAC
E. coli R2 heptasaccharide P4ChEBI
α-D-glucosyl-(1→3)-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
Citations