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CHEBI:77380 - 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)-Kdo

ChEBI IDCHEBI:77380
ChEBI Nameβ-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)-Kdo
Stars
ASCII Namebeta-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)-Kdo
DefinitionA branched oligosaccharide phosphate comprising a D-galactose residue, a D-glucose residue, an N-acetyl-D-glucosamine residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end. Corresponds to the lgtA mutant of the core oligosaccharide of Neisseria meningitidis.
Last Modified19 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC44H77N2O38P
Net Charge0
Average Mass1273.050
Monoisotopic Mass1272.38919
SMILES[H][C@]1([C@H](O)CO)OC(O)(C(=O)O)C[C@@H](O)[C@H]1O[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O[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])([C@@H](O)CO)[C@@H](O)[C@H](OP(=O)(O)OCCN)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
InChIInChI=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
InChIKeyGITSKHJBUVKZQB-ZRYBOVRQSA-N
ChEBI Ontology
Outgoing Relation(s)
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)-Kdo (CHEBI:77380) is a amino hexasaccharide (CHEBI:61855)
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)-Kdo (CHEBI:77380) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Names 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-(5R)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-L-erythro-hex-2-ulopyranosonic acid
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-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
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)-KdoChEBI
N-acetyl-α-D-glucosaminyl-(1→2)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptosyl-(1→3)-[β-D-galactosyl-(1→4)-β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-D-manno-oct-2-ulosonic acidChEBI
Citations