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CHEBI:75312 - α-D-GalNAc-(1→2)-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo

ChEBI IDCHEBI:75312
ChEBI Nameα-D-GalNAc-(1→2)-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo
Stars
ASCII Namealpha-D-GalNAc-(1->2)-[alpha-D-Glc-(1->3)]-beta-D-Man-(1->4)-[beta-D-Glc-(1->2)]-alpha-D-Man-(1->5)-alpha-Kdo
DefinitionA branched amino hexasaccharide corresponding to the core oligosaccharide of the Gram negative bacterium Francisella tularensis.
Last Modified22 August 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H67NO33
Net Charge0
Average Mass1089.950
Monoisotopic Mass1089.35953
SMILES[H][C@]1([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C40H67NO33/c1-9(48)41-17-22(55)18(51)12(4-43)64-34(17)73-33-31(71-35-25(58)23(56)19(52)13(5-44)65-35)21(54)15(7-46)67-38(33)70-30-16(8-47)68-37(32(27(30)60)72-36-26(59)24(57)20(53)14(6-45)66-36)69-28-10(49)2-40(63,39(61)62)74-29(28)11(50)3-42/h10-38,42-47,49-60,63H,2-8H2,1H3,(H,41,48)(H,61,62)/t10-,11-,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+,40-/m1/s1
InChIKeyPACADGZCGGVVRR-DKFAURLWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalNAc-(1→2)-[α-D-Glc-(1→3)]-β-D-Man-(1→4)-[β-D-Glc-(1→2)]-α-D-Man-(1→5)-α-Kdo (CHEBI:75312) is a amino hexasaccharide (CHEBI:61855)
IUPAC Name 
2-deoxy-2-acetamido-α-D-galactopyranosyl-(1→2)-[α-D-glucopyranosyl-(1→3)]-β-D-mannopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→2)]-α-D-mannopyranosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
α-D-GalpNAc-(1→2)-[α-D-Glcp-(1→3)]-β-D-Manp-(1→4)-[β-D-Glcp-(1→2)]-α-D-Manp-(1→5)-α-KdoIUPAC
N-acetyl-α-D-galactosaminyl-(1→2)-[α-D-glucosyl-(1→3)]-β-D-mannosyl-(1→4)-[β-D-glucosyl-(1→2)]-α-D-mannosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulosonic acidChEBI
Hex4HexNAcKdOChEBI
Citations