D-Man-β-(1→4)-GlcA-β-(1→2)-6-O-acetyl-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-ditrans,octacis-undecaprenol

D-Man-β-(1→4)-GlcA-β-(1→2)-6-<i>O</i>-acetyl-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C87H139O34P2
Molecular Weight:
1790.982 Daltons
Monoisotopic Mass:
1792.8857747296001 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-])OC5(OC(CO)C(OC4(OC(CO)C(O)C(OC3(OC(COC(=O)C)C(O)C(O)C(OC2(OC(C([O-])=O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))3))C(O)4))C(O)C(O)5))C)C)C)C)C)C)C
InChI:
1S/C87H142O34P2/c1-14-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)48-110-122(105,106)121-123(107,108)120-86-75(101)71(97)77(64(47-90)113-86)115-85-76(102)78(68(94)63(46-89)112-85)116-87-80(70(96)67(93)65(114-87)49-109-61(13)91)118-84-74(100)72(98)79(81(119-84)82(103)104)117-83-73(99)69(95)66(92)62(45-88)111-83/h14,26,28,30,32,34,36,38,40,42,44,62-81,83-90,92-102H,15-25,27,29,31,33,35,37,39,41,43,45-49H2,1-13H3,(H,103,104)(H,105,106)(H,107,108)/p-3/b50-14-,51-26-,52-28-,53-30-,54-32-,55-34-,56-36-,57-38-,58-40+,59-42+,60-44+/t62-,63-,64-,65-,66-,67-,68-,69+,70+,71-,72-,73+,74-,75-,76-,77-,78+,79+,80+,81+,83+,84-,85+,86-,87-/m1/s1
InChIKey:
BBTPYXSUGHNSLQ-JNXKOXNNSA-K

Synonyms
  • D-Man-β-(1,4)- GlcA-β-(1,2)-6-O-acetyl-D-Man-α-(1,3)-D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol
  • monoacetylated xanthan monomer
  • β-D-mannosyl-(1,4)-β-D-glucoronate-(1,2)-α-6-O-acetyl-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol

Databases
MetaCyc:  CPD-12781
ChEBI:  61230
PubChem (CID):  52940156
Seed:  cpd23575
MetaNetX:  MNXM8499