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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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 ID CHEBI:60561
ChEBI ASCII Name D-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
Definition A branched amino hexasaccharide corresponding to part of the lipooligosaccharide from Neisseria meningitidis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C46H79N2O40P
Net Charge 0
Average Mass 1331.08260
Monoisotopic Mass 1330.39467
InChI InChI=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
InChIKey OVULXPOIQADCEE-LICNSSDNSA-N
SMILES [H][C@@]1(O[C@H](O[C@@H]2[C@@H](C[C@@](O)(O[C@]2([H])[C@H](O)CO)C(O)=O)O[C@@]2(C[C@@H](O)[C@@H](O)[C@]([H])(O2)[C@H](O)CO)C(O)=O)[C@@H](O)[C@@H](O[C@H]2O[C@@]([H])([C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](CO)OP(O)(=O)OCCN)[C@@H]1O)[C@@H](O)CO
ChEBI Ontology
Outgoing 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 Sources
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 acid ChEBI
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-Kdo ChEBI
Citation Waiting for Citations Type Source
18835574 PubMed citation Europe PMC
Last Modified
04 November 2010