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CHEBI:71694 - α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-L-α-D-Hep-(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

Default Structure
ChEBI IDCHEBI:71694
ChEBI Nameα-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-L-α-D-Hep-(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-Hep-(1->7)]-L-alpha-D-Hep-(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, three L-α-D-Hep residues (one of which is monophosphorylated), 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
FormulaC55H97N2O55P3
Net Charge0
Average Mass1759.262
Monoisotopic Mass1758.40677
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](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/C55H97N2O55P3/c56-21-26(72)25(71)19(99-47(21)112-115(92,93)94)9-96-46-22(57)27(73)41(110-113(86,87)88)20(100-46)10-97-54(52(82)83)2-17(107-55(53(84)85)1-11(63)23(69)38(108-55)13(65)4-59)42(40(109-54)15(67)6-61)104-51-35(81)44(45(111-114(89,90)91)39(103-51)14(66)5-60)106-50-34(80)43(105-49-32(78)28(74)24(70)18(7-62)98-49)33(79)37(102-50)16(68)8-95-48-31(77)29(75)30(76)36(101-48)12(64)3-58/h11-51,58-81H,1-10,56-57H2,(H,82,83)(H,84,85)(H2,86,87,88)(H2,89,90,91)(H2,92,93,94)/t11-,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-,45-,46-,47-,48+,49-,50-,51-,54-,55-/m1/s1
InChIKeyZIHRPNGMLWVPRZ-KQMLUCKHSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-L-α-D-Hep-(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:71694) is a amino octasaccharide (CHEBI:71060)
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-L-α-D-Hep-(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:71694) is a glucosamine oligosaccharide (CHEBI:22485)
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-L-α-D-Hep-(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:71694) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
α-D-glucopyranosyl-(1→3)-[L-glycero-α-D-manno-heptopyranosyl-(1→7)]-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
E. coli R2 octasaccharide 1-P3ChEBI
α-D-Glcp-(1→3)-[L-α-D-Hepp-(1→7)]-L-α-D-Hepp-(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
α-D-glucosyl-(1→3)-[L-glycero-α-D-manno-heptosyl-(1→7)]-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