β-D-glucuronosyl-(1→4)-β-D-glucuronosyl-(1→3)-N-acetyl-α-D-galactosaminyl-(1→6)-N-acetyl-α-D-galactosaminyl-diphospho-ditrans,octacis-undecaprenol

β-D-glucuronosyl-(1→4)-β-D-glucuronosyl-(1→3)-<i>N</i>-acetyl-α-D-galactosaminyl-(1→6)-<i>N</i>-acetyl-α-D-galactosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C83H130N2O29P2
Molecular Weight:
1681.883 Daltons
Monoisotopic Mass:
1684.8547493727 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP(OC1(C(C(C(C(O1)COC4(OC(CO)C(O)C(OC3(OC(C(=O)[O-])C(OC2(OC(C(=O)[O-])C(O)C(O)C(O)2))C(O)C(O)3))C(NC(=O)C)4))O)O)NC(C)=O))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C83H134N2O29P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-106-115(101,102)114-116(103,104)113-81-64(84-60(13)87)68(91)66(89)63(108-81)48-105-80-65(85-61(14)88)74(67(90)62(47-86)107-80)109-83-73(96)71(94)75(77(112-83)79(99)100)110-82-72(95)69(92)70(93)76(111-82)78(97)98/h25,27,29,31,33,35,37,39,41,43,45,62-77,80-83,86,89-96H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,84,87)(H,85,88)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/p-4/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69+,70+,71-,72-,73-,74-,75+,76+,77+,80+,81-,82-,83-/m1/s1
InChIKey:
RRUWUEGMDWWMSP-JFDWEALYSA-J

Synonyms
  • β-D-GlcA-(1→4)-β-D-GlcA-(1→3)-α-D-GalNAc-(1→6)-α-D-GalNAc-diphospho-ditrans,octacis-undecaprenol

Databases
MetaCyc:  CPD-19351
PubChem (CID):  122706127
MetaNetX:  MNXM163765