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)-6-O-acetyl-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)-6-<i>O</i>-acetyl-α-D-glucosyl-diphosphoundecaprenol




Chemical Formula:
C101H161O44P2
Molecular Weight:
2141.304 Daltons
Monoisotopic Mass:
2143.0070716568002 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(COC(=O)C)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/C101H164O44P2/c1-16-53(2)27-17-28-54(3)29-18-30-55(4)31-19-32-56(5)33-20-34-57(6)35-21-36-58(7)37-22-38-59(8)39-23-40-60(9)41-24-42-61(10)43-25-44-62(11)45-26-46-63(12)48-132-146(124,125)145-147(126,127)144-100-87(120)81(114)89(71(138-100)52-129-66(15)104)139-99-88(121)90(76(109)67(47-102)134-99)140-101-92(80(113)75(108)68(137-101)49-128-65(14)103)142-98-86(119)82(115)91(93(143-98)94(122)123)141-97-85(118)79(112)74(107)70(136-97)51-131-96-84(117)78(111)73(106)69(135-96)50-130-95-83(116)77(110)72(105)64(13)133-95/h16,28,30,32,34,36,38,40,42,44,46,64,67-93,95-102,105-121H,17-27,29,31,33,35,37,39,41,43,45,47-52H2,1-15H3,(H,122,123)(H,124,125)(H,126,127)/p-3/b53-16-,54-28-,55-30-,56-32-,57-34-,58-36-,59-38-,60-40-,61-42+,62-44+,63-46+/t64-,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-,92-,93-,95+,96+,97+,98+,99-,100+,101+/m0/s1
InChIKey:
OTFBINXSWLCQRM-APXDDPKCSA-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)-6-O-ac-Glc-α-1-diphosphoundecaprenol
  • diacetylated form of acetan monomer

Databases
MetaCyc:  CPD-12788
PubChem (CID):  52940159
Seed:  cpd23582
MetaNetX:  MNXM13297