CHEBI:59946 - β-D-Galp-(1→4)-β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-α-Kdo

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Galp-(1→4)-β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-α-Kdo
ChEBI ID CHEBI:59946
ChEBI ASCII Name beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-3-PEA-L-alpha-D-Hepp-(1->3)]-L-alpha-D-Hepp-(1->5)-alpha-Kdo
Definition A branched hexasaccharide corresponding to part of the lipooligosaccharide from N. gonorrhoeae L8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C44H77N2O38P
Net Charge 0
Average Mass 1273.04650
Monoisotopic Mass 1272.38919
InChI InChI=1S/C44H77N2O38P/c1-11(53)46-19-22(60)20(58)16(8-50)73-38(19)82-37-35(84-85(70,71)72-3-2-45)27(65)29(13(55)5-47)76-42(37)80-34-28(66)41(77-30-12(54)4-44(69,43(67)68)83-32(30)15(57)7-49)78-31(14(56)6-48)36(34)81-40-26(64)24(62)33(18(10-52)75-40)79-39-25(63)23(61)21(59)17(9-51)74-39/h12-42,47-52,54-66,69H,2-10,45H2,1H3,(H,46,53)(H,67,68)(H,70,71)/t12-,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-,44-/m1/s1
InChIKey GITSKHJBUVKZQB-FRSBDMLLSA-N
SMILES [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](OP(O)(=O)OCCN)[C@@H]1O)[C@@H](O)CO
ChEBI Ontology
Outgoing β-D-Galp-(1→4)-β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)]-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:59946) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms Sources
β-D-Gal-(1→4)-β-D-Glc(1→4)-[α-D-GlcNAc-(1→2)-3-PEA-L-α-D-Hep-(1→3)]-L-α-D-Hep-(1→5)-α-Kdo ChEBI
Galβ1-4Glcβ1-4[GlcNAcα1-2(3PEA-Hep)α1-3]Hepα1-5Kdoα ChEBI
N. gonorrhoeae L8 LOS oligosaccharide ChEBI
Citation Waiting for Citations Type Source
18642671 PubMed citation Europe PMC
Last Modified
08 May 2017