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

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




Chemical Formula:
C99H159O43P2
Molecular Weight:
2099.267 Daltons
Monoisotopic Mass:
2100.9965069705 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-])OC7(OC(CO)C(OC6(OC(CO)C(O)C(OC5(OC(COC(=O)C)C(O)C(O)C(OC4(OC(C([O-])=O)C(OC3(OC(COC2(OC(COC1(OC(C)C(O)C(O)C(O)1))C(O)C(O)C(O)2))C(O)C(O)C(O)3))C(O)C(O)4))5))C(O)6))C(O)C(O)7))C)C)C)C)C)C)C
InChI:
1S/C99H162O43P2/c1-15-52(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)48-129-143(122,123)142-144(124,125)141-98-85(118)79(112)87(66(47-101)132-98)136-97-86(119)88(74(107)65(46-100)131-97)137-99-90(78(111)73(106)67(135-99)49-126-64(14)102)139-96-84(117)80(113)89(91(140-96)92(120)121)138-95-83(116)77(110)72(105)69(134-95)51-128-94-82(115)76(109)71(104)68(133-94)50-127-93-81(114)75(108)70(103)63(13)130-93/h15,27,29,31,33,35,37,39,41,43,45,63,65-91,93-101,103-119H,16-26,28,30,32,34,36,38,40,42,44,46-51H2,1-14H3,(H,120,121)(H,122,123)(H,124,125)/p-3/b52-15-,53-27-,54-29-,55-31-,56-33-,57-35-,58-37-,59-39-,60-41+,61-43+,62-45+/t63-,65+,66+,67+,68+,69+,70-,71+,72+,73+,74+,75+,76-,77-,78-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88-,89-,90-,91-,93+,94+,95+,96+,97-,98+,99+/m0/s1
InChIKey:
NLXOUANNXGTQKI-QXPRXVCNSA-K

Synonyms
  • L-Rha-β-(1,6)-Glc-β-(1,6)-Glc-α-(1,4)-GlcA-β-(1,2)-6-O-Ac-D-Man-α-(1,3)-D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol
  • monoacetylated form of acetan monomer

Databases
MetaCyc:  CPD-12787
PubChem (CID):  52940115
Seed:  cpd23581
MetaNetX:  MNXM13298