β-D-glucosyl-(1,6)-α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol

β-D-glucosyl-(1,6)-α-D-glucosyl-(1,2)-β-D-glucuronate-(1,2)-α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol




Chemical Formula:
C91H147O38P2
Molecular Weight:
1911.087 Daltons
Monoisotopic Mass:
1912.9280334748 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-])OC6(OC(CO)C(OC5(OC(CO)C(O)C(OC4(OC(CO)C(O)C(O)C(OC3(OC(C([O-])=O)C(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)3))4))C(O)5))C(O)C(O)6))C)C)C)C)C)C)C
InChI:
1S/C91H150O38P2/c1-13-50(2)24-14-25-51(3)26-15-27-52(4)28-16-29-53(5)30-17-31-54(6)32-18-33-55(7)34-19-35-56(8)36-20-37-57(9)38-21-39-58(10)40-22-41-59(11)42-23-43-60(12)48-117-130(112,113)129-131(114,115)128-90-78(108)73(103)80(64(47-95)121-90)123-89-79(109)81(69(99)63(46-94)119-89)124-91-83(72(102)67(97)62(45-93)120-91)126-88-77(107)74(104)82(84(127-88)85(110)111)125-87-76(106)71(101)68(98)65(122-87)49-116-86-75(105)70(100)66(96)61(44-92)118-86/h13,25,27,29,31,33,35,37,39,41,43,61-84,86-109H,14-24,26,28,30,32,34,36,38,40,42,44-49H2,1-12H3,(H,110,111)(H,112,113)(H,114,115)/p-3/b50-13-,51-25-,52-27-,53-29-,54-31-,55-33-,56-35-,57-37-,58-39+,59-41+,60-43+/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70+,71+,72+,73-,74-,75-,76-,77-,78-,79-,80-,81+,82+,83+,84+,86-,87-,88-,89+,90-,91-/m1/s1
InChIKey:
VXAMHCGLLLDONZ-QYKKZAPKSA-K

Synonyms
  • Glc-β-(1,6)-Glc-α-(1,4)-GlcA-β-(1,2)-D-Man-α-(1,3)-D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol

Databases
MetaCyc:  CPD-12785
PubChem (CID):  52940095
Seed:  cpd23579
MetaNetX:  MNXM13292