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CHEBI:59369 - α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc

Default Structure
ChEBI IDCHEBI:59369
ChEBI Nameα-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc
Stars
ASCII Namealpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc
DefinitionAn amino pentasaccharide that is the core polysaccharide sequence for the O-antigen of the Gram-negative bacterium Shigella flexneri.
Last Modified12 May 2016
Submitterzjosephs
DownloadsMolfile
FormulaC32H55NO23
Net Charge0
Average Mass821.776
Monoisotopic Mass821.31649
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[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)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C32H55NO23/c1-7-14(37)18(41)21(44)29(48-7)56-27-20(43)15(38)8(2)49-32(27)55-26-23(46)31(54-25-13(33-10(4)36)28(47)51-12(6-35)17(25)40)50-9(3)24(26)53-30-22(45)19(42)16(39)11(5-34)52-30/h7-9,11-32,34-35,37-47H,5-6H2,1-4H3,(H,33,36)/t7-,8-,9-,11+,12+,13+,14-,15-,16+,17+,18+,19-,20+,21+,22+,23+,24-,25+,26-,27+,28+,29-,30+,31-,32-/m0/s1
InChIKeyYXNPSRDNMSLDMC-QDVAPQJISA-N
Species of MetaboliteComponentSourceComments
Shigella flexneri (ncbitaxon:623) - PubMed (26918643)
ChEBI Ontology
Outgoing Relation(s)
α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc (CHEBI:59369) is a amino pentasaccharide (CHEBI:59268)
IUPAC Name 
α-L-rhamnopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→4)]-α-L-rhamnopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranose
Synonyms  Source
6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-α-L-mannopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranoseChEBI
AB(E)CDChEBI
α-L-Rha-(1→2)-α-L-Rha-(1→3)-[α-D-Glc-(1→4)]-α-L-Rha-(1→3)-β-D-GlcNAcChEBI
Citations