CHEBI:77374 - β-D-GlcpNAc-(1→3)-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

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ChEBI Name β-D-GlcpNAc-(1→3)-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 ID CHEBI:77374 ChEBI ASCII Name beta-D-GlcpNAc-(1->3)-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)-Kdo Definition A branched oligosaccharide phosphate comprising a D-galactose residue, two N-acetyl-D-glucosamine residues, a D-glucose 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 lgtB mutant of the core oligosaccharide of Neisseria meningitidis. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C52H90N3O43P Net Charge 0 Average Mass 1476.23910 Monoisotopic Mass 1475.46857 InChI InChI=1S/C52H90N3O43P/c1-13(63)54-23-28(72)25(69)19(9-59)85-45(23)93-40-27(71)21(11-61)87-48(33(40)77)92-39-22(12-62)88-47(31(75)30(39)74)95-43-37(17(67)7-57)91-49(90-36-15(65)5-52(81,51(79)80)97-38(36)18(68)8-58)34(78)41(43)94-50-44(96-46-24(55-14(2)64)29(73)26(70)20(10-60)86-46)42(98-99(82,83)84-4-3-53)32(76)35(89-50)16(66)6-56/h15-50,56-62,65-78,81H,3-12,53H2,1-2H3,(H,54,63)(H,55,64)(H,79,80)(H,82,83)/t15-,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-,52?/m1/s1 InChIKey FPTVREBDLVYXBL-RJMPPLBXSA-N SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H](O[C@@H]4[C@H](O)CC(O)(O[C@@H]4[C@H](O)CO)C(O)=O)O[C@@H]3[C@@H](O)CO)O[C@@H]2CO)[C@@H]1O ChEBI Ontology Outgoing β-D-GlcpNAc-(1→3)-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:77374) 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)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(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)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(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 Sources β-D-GlcNAc-(1→3)-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)-Kdo ChEBI N-acetyl-α-D-glucosaminyl-(1→2)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptosyl-(1→3)-[N-acetyl-β-D-glucosaminyl-(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 acid ChEBI Citation Type Source 24013955 PubMed citation Europe PMC Last Modified 19 February 2014