6-O-acetyl-β-D-mannosyl-(1,4)-β-D-glucoronate-(1,2)-α-N-acetyl-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol

6-<i>O</i>-acetyl-β-D-mannosyl-(1,4)-β-D-glucoronate-(1,2)-α-<i>N</i>-acetyl-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol




Chemical Formula:
C89H141O35P2
Molecular Weight:
1833.019 Daltons
Monoisotopic Mass:
1834.8963394159 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(COC(C)=O)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/C89H144O35P2/c1-15-51(2)26-16-27-52(3)28-17-29-53(4)30-18-31-54(5)32-19-33-55(6)34-20-35-56(7)36-21-37-57(8)38-22-39-58(9)40-23-41-59(10)42-24-43-60(11)44-25-45-61(12)48-113-125(107,108)124-126(109,110)123-88-77(103)73(99)79(65(47-91)115-88)118-87-78(104)80(70(96)64(46-90)114-87)119-89-82(72(98)69(95)67(117-89)50-112-63(14)93)121-86-76(102)74(100)81(83(122-86)84(105)106)120-85-75(101)71(97)68(94)66(116-85)49-111-62(13)92/h15,27,29,31,33,35,37,39,41,43,45,64-83,85-91,94-104H,16-26,28,30,32,34,36,38,40,42,44,46-50H2,1-14H3,(H,105,106)(H,107,108)(H,109,110)/p-3/b51-15-,52-27-,53-29-,54-31-,55-33-,56-35-,57-37-,58-39-,59-41+,60-43+,61-45+/t64-,65-,66-,67-,68-,69-,70-,71+,72+,73-,74-,75+,76-,77-,78-,79-,80+,81+,82+,83+,85+,86-,87+,88-,89-/m1/s1
InChIKey:
WXHLSPDGJCEEES-FXCCJKEVSA-K

Synonyms
  • 6-O-acetyl-D-Man-β-(1,4)- GlcA-β-(1,2)-N-acetyl-D-Man-α-(1,3)-D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol
  • diacetylated xanthan monomer

Databases
MetaCyc:  CPD-12782
PubChem (CID):  52940082
Seed:  cpd23576
MetaNetX:  MNXM12362