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CHEBI:77385 - α-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-Kdo

ChEBI IDCHEBI:77385
ChEBI Nameα-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-Kdo
Stars
ASCII Namealpha-D-GlcpNAc-(1->2)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-Kdo
DefinitionA linear amino tetrasaccharide comprising an N-acetyl-α-D-glucosamine residue,two L-glycero-α-D-manno-heptose residues and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1→2), (1→3), (1→5) sequence. Corresponds to the icsb and lpt3 mutant of the core oligosaccharide of Neisseria meningitidis.
Last Modified19 February 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H51NO25
Net Charge0
Average Mass825.720
Monoisotopic Mass825.27502
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](O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[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/C30H51NO25/c1-7(36)31-13-15(42)14(41)12(6-35)50-26(13)55-25-17(44)16(43)20(9(38)3-32)52-28(25)54-24-18(45)21(10(39)4-33)51-27(19(24)46)53-22-8(37)2-30(49,29(47)48)56-23(22)11(40)5-34/h8-28,32-35,37-46,49H,2-6H2,1H3,(H,31,36)(H,47,48)/t8-,9+,10+,11-,12-,13-,14-,15-,16+,17+,18-,19+,20-,21-,22-,23-,24+,25+,26-,27-,28-,30?/m1/s1
InChIKeyUPAGKTSRSAMFBR-GTFBNYCFSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→2)-L-α-D-Hepp-(1→3)-L-α-D-Hepp-(1→5)-Kdo (CHEBI:77385) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Names 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-(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)-L-glycero-α-D-manno-heptopyranosyl-(1→3)-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
α-D-GlcNAc-(1→2)-L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-KdoChEBI
N-acetyl-α-D-glucosaminyl-(1→2)-L-glycero-α-D-manno-heptosyl-(1→3)-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-D-manno-oct-2-ulosonic acidChEBI
Citations