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CHEBI:77598 - β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)]-L-glycero-α-D-manno-Hepp-(1→5)-[α-Kdo-(2→4)]-α-KDo

ChEBI IDCHEBI:77598
ChEBI Nameβ-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)]-L-glycero-α-D-manno-Hepp-(1→5)-[α-Kdo-(2→4)]-α-KDo
Stars
ASCII Namebeta-D-Glcp-(1->4)-[alpha-D-GlcpNAc-(1->2)-L-glycero-alpha-D-manno-Hepp-(1->3)]-L-glycero-alpha-D-manno-Hepp-(1->5)-[alpha-Kdo-(2->4)]-alpha-KDo
DefinitionA branched amino hexasaccharide consisting of a linear chain of a N-acetyl-α-D-glucosamine residue, two L-glycero-α-D-manno-heptose (Hep) residues and a 3-deoxy-α-D-manno-oct-2-ulosonic acid (Kdo) residue in a (1→2), (→3), (1→5) sequence, to the Hep residue nearest to the Kdo is linked also (1→4) a β-D-glucose residue, with the Kdo residue also carrying a further Kdo residue linked (2→4). Corresponds to a fragment of an inner core lipooligosaccharide epitope from Neisseria meningitidis.
Secondary ChEBI IDCHEBI:59482
Last Modified15 January 2021
SubmitterMarcus Ennis, Steve
DownloadsMolfile
FormulaC44H73NO37
Net Charge0
Average Mass1208.038
Monoisotopic Mass1207.38614
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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[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/C44H73NO37/c1-10(52)45-19-23(61)21(59)17(8-50)72-37(19)78-35-26(64)25(63)29(12(54)4-46)74-40(35)77-34-28(66)39(75-31(14(56)6-48)36(34)79-38-27(65)24(62)22(60)18(9-51)73-38)76-33-16(3-43(71,41(67)68)81-32(33)15(57)7-49)80-44(42(69)70)2-11(53)20(58)30(82-44)13(55)5-47/h11-40,46-51,53-66,71H,2-9H2,1H3,(H,45,52)(H,67,68)(H,69,70)/t11-,12+,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-,43-,44-/m1/s1
InChIKeyPCHRYGZWVXTYCG-KZVNFAGQSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)]-L-glycero-α-D-manno-Hepp-(1→5)-[α-Kdo-(2→4)]-α-KDo (CHEBI:77598) is a amino hexasaccharide (CHEBI:61855)
β-D-Glcp-(1→4)-[α-D-GlcpNAc-(1→2)-L-glycero-α-D-manno-Hepp-(1→3)]-L-glycero-α-D-manno-Hepp-(1→5)-[α-Kdo-(2→4)]-α-KDo (CHEBI:77598) is a glucosamine oligosaccharide (CHEBI:22485)
IUPAC Names 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-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
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-[(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2→4)]-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→5)-[(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranonosyl-(2→4)]-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-β-L-erythro-hex-2-ulopyranosonic acid
Synonyms  Source
β-D-Glc-(1→4)-[α-D-GlcNAc-(1→2)-L-glycero-α-D-manno-Hep-(1→3)]-L-glycero-α-D-manno-Hep-(1→5)-[α-Kdo-(2→4)]-α-KDoChEBI
α-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)-[β-D-Glcp- (1→4)]-L-α-D-Hepp-(1→5)-[α-D-Kdo-(2→4)]-α-D-KdoIUPAC
N-acetyl-α-D-glucosaminyl-(1→2)-L-glycero-α-D-manno-heptosyl-(1→3)-[β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptosyl-(1→5)-[3-deoxy-α-D-manno-oct-2-ulonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulosonic acidChEBI
GlcNAcα1-2Hepα1-3(Glcβ1-4)Hepα1-5(Kdoα2-4)KdoαChEBI
α-D-GlcNAc-(1→2)-L-α-D-Hep-(1→3)-[β-D-Glc-(1→4)]-L-α-D-Hep-(1→5)-[α-D-Kdo-(2→4)]-α-D-KdoChEBI
Citations