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CHEBI:134203 - P-{α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6-yl}-α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-P-6-[CH2]5NHC(=O)[CH2]4C(=O)NHR group

ChEBI IDCHEBI:134203
ChEBI NameP-{α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6-yl}-α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-P-6-[CH2]5NHC(=O)[CH2]4C(=O)NHR group
Stars
ASCII NameP-{alpha-D-GlcpNAc-(1->3)-[D-GroA-(2->1)]-alpha-D-GlcpNAc-6-yl}-alpha-D-GlcpNAc-(1->3)-[D-GroA-(2->1)]-alpha-D-GlcpNAc-P-6-[CH2]5NHC(=O)[CH2]4C(=O)NHR group
DefinitionAn organic group derived from α-D-GlcpNAc-(1→3)-[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→2)-D-GroA (CHEBI:134201) in which the 5-aminopentyl linker is replaced by a 6-(pentylamino)hexanamido one. When linked to the diphtheria toxin mutant 197CRM, it shows potential as a Clostridium difficile vaccine candidate.
Last Modified28 December 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC49H83N6O35P2R
Net Charge0
Average Mass (excl. R groups)1378.152
Monoisotopic Mass (excl. R groups)1377.43746
SMILES*NC(=O)CCCCC(=O)NCCCCCOP(=O)(O)OC[C@H]1O[C@H](O[C@H](CO)C(=O)O)[C@H](NC(C)=O)[C@@H](O[C@H]2O[C@H](COP(=O)(O)OC[C@H]3O[C@H](O[C@H](CO)C(=O)O)[C@H](NC(C)=O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
ChEBI Ontology
Outgoing Relation(s)
P-{α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6-yl}-α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-P-6-[CH2]5NHC(=O)[CH2]4C(=O)NHR group (CHEBI:134203) has functional parent P-{α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6-yl}-α-D-GlcpNAc-(1→3)-[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→2)-D-GroA (CHEBI:134201)
P-{α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6-yl}-α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-P-6-[CH2]5NHC(=O)[CH2]4C(=O)NHR group (CHEBI:134203) is a organic group (CHEBI:33247)
IUPAC Name 
(1-{(2R,3S,4R,5R,6R)-5-acetamido-4-{[(2S,3R,4R,5S,6R)-3-acetamido-6-({[({(2R,3S,4R,5R,6R)-5-acetamido-4-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-[(1R)-1-carboxy-2-hydroxyethoxy]-3-hydroxyoxan-2-yl}methoxy)(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-[(1R)-1-carboxy-2-hydroxyethoxy]-3-hydroxyoxan-2-yl}-3-hydroxy-3,11,16-trioxo-2,4-dioxa-10-aza-3λ5-phosphahexadecan-16-yl)amino
Synonym  Source
α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6P3-α-D-GlcpNAc-(1→3)-[D-GroA-(2→1)]-α-D-GlcpNAc-6P[CH2]5NH2NHC(=O)[CH2]4C(=O)NHRChEBI
Citations