β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,octacis-undecaprenol

β-D-GlcA-(1→2)-α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C79H127O28P2
Molecular Weight:
1586.803 Daltons
Monoisotopic Mass:
1588.8223866118 Daltons
SMILES:
CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])OC4(OC(CO)C(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(OC1(OC(C([O-])=O)C(O)C(O)C(O)1))2))C(O)3))C(O)C(O)4))C)C)C)C)C)C)C
InChI:
1S/C79H130O28P2/c1-13-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)47-98-108(94,95)107-109(96,97)106-78-69(90)67(88)71(61(46-82)101-78)102-77-70(91)72(63(84)60(45-81)99-77)103-79-74(65(86)62(83)59(44-80)100-79)105-76-68(89)64(85)66(87)73(104-76)75(92)93/h13,25,27,29,31,33,35,37,39,41,43,59-74,76-91H,14-24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,92,93)(H,94,95)(H,96,97)/p-3/b48-13-,49-25-,50-27-,51-29-,52-31-,53-33-,54-35-,55-37-,56-39+,57-41+,58-43+/t59-,60-,61-,62-,63-,64+,65+,66+,67-,68-,69-,70-,71-,72+,73+,74+,76+,77+,78-,79-/m1/s1
InChIKey:
GVXHLXASJYGJHN-PKNWGLGESA-K

Synonyms
  • GlcA-β-(1,2)-D-Man-α-(1,3)-D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol
  • β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol

Databases
MetaCyc:  CPD-12771
ChEBI:  61227
PubChem (CID):  52940195
MetaNetX:  MNXM2980
KEGG:  C19854