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CHEBI:60561 - D-Glcp-(1→3)-[α-D-GlcpNAc-(1→2)]-6-PEA-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo

ChEBI IDCHEBI:60561
ChEBI NameD-Glcp-(1→3)-[α-D-GlcpNAc-(1→2)]-6-PEA-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo
Stars
ASCII NameD-Glcp-(1->3)-[alpha-D-GlcpNAc-(1->2)]-6-PEA-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo
DefinitionA branched amino hexasaccharide corresponding to part of the lipooligosaccharide from Neisseria meningitidis.
Last Modified4 November 2010
SubmitterSteve
DownloadsMolfile
FormulaC46H79N2O40P
Net Charge0
Average Mass1331.086
Monoisotopic Mass1330.39467
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](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](O)[C@H](O[C@H]3O[C@]([H])([C@H](CO)OP(=O)(O)OCCN)[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C46H79N2O40P/c1-12(55)48-21-25(63)23(61)18(9-52)77-39(21)84-38-37(83-40-27(65)26(64)24(62)19(10-53)78-40)29(67)34(20(11-54)88-89(74,75)76-3-2-47)80-42(38)82-36-28(66)31(14(57)6-49)79-41(30(36)68)81-35-17(5-45(73,43(69)70)86-33(35)16(59)8-51)85-46(44(71)72)4-13(56)22(60)32(87-46)15(58)7-50/h13-42,49-54,56-68,73H,2-11,47H2,1H3,(H,48,55)(H,69,70)(H,71,72)(H,74,75)/t13-,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-,45-,46-/m1/s1
InChIKeyOVULXPOIQADCEE-LICNSSDNSA-N
ChEBI Ontology
Outgoing Relation(s)
D-Glcp-(1→3)-[α-D-GlcpNAc-(1→2)]-6-PEA-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-[α-Kdo-(2→4)]-α-Kdo (CHEBI:60561) is a amino oligosaccharide (CHEBI:22483)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptopyranosyl-(1→3)-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-ulopyranosonic acid
Synonyms  Source
D-Glc-(1→3)-[α-D-GlcNAc-(1→2)]-6-PEA-L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-[α-Kdo-(2→4)]-α-KdoChEBI
2-acetamido-2-deoxy-α-D-glucosyl-(1→2)-[β-D-glucosyl-(1→3)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptosyl-(1→3)-L-glycero-α-D-manno-heptosyl-(1→5)-[3-deoxy-α-D-manno-oct-2-ulosonyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulosonic acidChEBI
Citations