EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71691 - α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-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:71691
ChEBI Nameα-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-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-Hep-(1->7)]-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, three L-α-D-Hep residues (two of which are 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
FormulaC55H98N2O58P4
Net Charge0
Average Mass1839.241
Monoisotopic Mass1838.37310
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]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C55H98N2O58P4/c56-21-26(72)25(71)19(101-47(21)115-119(94,95)96)9-98-46-22(57)27(73)40(112-116(85,86)87)20(102-46)10-99-54(52(81)82)2-17(109-55(53(83)84)1-11(63)23(69)36(110-55)13(65)4-59)41(39(111-54)15(67)6-61)106-50-33(79)42(44(113-117(88,89)90)37(104-50)14(66)5-60)108-51-34(80)43(107-49-32(78)28(74)24(70)18(7-62)100-49)45(114-118(91,92)93)38(105-51)16(68)8-97-48-31(77)29(75)30(76)35(103-48)12(64)3-58/h11-51,58-80H,1-10,56-57H2,(H,81,82)(H,83,84)(H2,85,86,87)(H2,88,89,90)(H2,91,92,93)(H2,94,95,96)/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
InChIKeyIHYPLUIFZFNKGC-KMPDCJJFSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-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:71691) is a amino octasaccharide (CHEBI:71060)
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-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:71691) is a glucosamine oligosaccharide (CHEBI:22485)
α-D-Glc-(1→3)-[L-α-D-Hep-(1→7)]-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:71691) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
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-Glcp-(1→3)-[L-α-D-Hepp-(1→7)]-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 octasaccharide P4ChEBI
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
Citations