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CHEBI:74041 - α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol

ChEBI IDCHEBI:74041
ChEBI Nameα-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol
Stars
ASCII Namealpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol
DefinitionA polyprenyl phospho oligosaccharide that consists of the pentasaccharide α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc linked via a diphospho group to ditrans,octacis-undecaprenol.
Last Modified10 June 2013
SubmitterSteve
DownloadsMolfile
FormulaC89H148N2O31P2
Net Charge0
Average Mass1804.094
Monoisotopic Mass1802.95413
SMILESCC(=O)N[C@H]1[C@@H](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](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[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](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O
InChIInChI=1S/C89H148N2O31P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-111-123(107,108)122-124(109,110)121-86-71(91-65(15)97)82(75(101)68(50-94)114-86)117-85-70(90-64(14)96)81(74(100)67(49-93)113-85)118-89-84(120-87-79(105)77(103)72(98)63(13)112-87)83(76(102)69(51-95)116-89)119-88-80(106)78(104)73(99)66(48-92)115-88/h26,28,30,32,34,36,38,40,42,44,46,63,66-89,92-95,98-106H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,90,96)(H,91,97)(H,107,108)(H,109,110)/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,66+,67+,68+,69+,70+,71+,72+,73-,74-,75-,76-,77+,78-,79-,80+,81+,82+,83-,84+,85+,86+,87-,88+,89-/m0/s1
InChIKeyUQYSJTDLRLYPNU-OOXGFABVSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol (CHEBI:74041) is a polyprenyl phospho oligosaccharide (CHEBI:26186)
α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol (CHEBI:74041) is conjugate acid of α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2−) (CHEBI:73993)
Incoming Relation(s)
α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol(2−) (CHEBI:73993) is conjugate base of α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol (CHEBI:74041)
IUPAC Name 
α-L-fucopyranosyl-(1→2)-[α-D-galactopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-1-O-{hydroxy[(hydroxy{[(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}phosphoryl)oxy]phosphoryl}-α-D-galactopyranose
Synonym  Source
α-D-Gal-(1→3)-[α-L-Fuc-(1→2)]-β-D-Gal-(1→3)-α-D-GalNAc-(1→3)-α-D-GalNAc-diphospho-ditrans,polycis-undecaprenolChEBI