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CHEBI:61533 - α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate

ChEBI IDCHEBI:61533
ChEBI Nameα-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate
Stars
ASCII Namealpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-D-GlcNAc-undecaprenyl diphosphate
DefinitionA polyprenyl phospho oligosaccharide where α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc comprises the oligosaccharide component and is linked via a diphosphate to a polyprenyl chain consisting of eleven prenyl units.
Last Modified2 March 2011
SubmitterSteve
DownloadsMolfile
FormulaC79H129N3O22P2
Net Charge0
Average Mass1534.848
Monoisotopic Mass1533.85430
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(OP(=O)(O)OP(=O)(O)OC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O[C@@H]2CO)O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](C)[C@H](NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-,60-47-/t61-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78?,79-/m1/s1
InChIKeyPSONHUYFSWYIME-BINAQSQKSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate (CHEBI:61533) is a polyprenyl phospho oligosaccharide (CHEBI:26186)
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate (CHEBI:61533) is conjugate acid of α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496)
Incoming Relation(s)
α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate(3−) (CHEBI:61496) is conjugate base of α-D-FucNAc4-(1→4)-β-D-ManNAcA-(1→4)-D-GlcNAc-undecaprenyl diphosphate (CHEBI:61533)
IUPAC Name 
4-acetamido-4,6-dideoxy-α-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-mannopyranuronosyl-(1→4)-2-acetamido-2-deoxy-1-OO-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphory)oxy]phosphoryl}-D-glucopyranose