4,6-CH3(COO-)C-D-Man-β-(1→4)-GlcA-β-(1→2)-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-ditrans,octacis-undecaprenol

4,6-CH3(COO-)C-D-Man-β-(1→4)-GlcA-β-(1→2)-D-Man-α-(1→3)-D-Glc-β-(1→4)-D-Glc-α-1-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C88H138O35P2
Molecular Weight:
1817.985 Daltons
Monoisotopic Mass:
1820.8806893517 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(OC1(OC2(COC(C)(C(=O)[O-])OC(C(O)C(O)1)2)))C(O)C(O)3))4))C(O)5))C(O)C(O)6))C)C)C)C)C)C)C
InChI:
1S/C88H142O35P2/c1-14-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)48-111-124(106,107)123-125(108,109)122-85-73(100)68(95)75(63(47-91)114-85)116-84-74(101)77(66(93)62(46-90)112-84)117-86-79(67(94)65(92)61(45-89)113-86)119-83-72(99)70(97)78(80(120-83)81(102)103)118-82-71(98)69(96)76-64(115-82)49-110-88(13,121-76)87(104)105/h14,26,28,30,32,34,36,38,40,42,44,61-80,82-86,89-101H,15-25,27,29,31,33,35,37,39,41,43,45-49H2,1-13H3,(H,102,103)(H,104,105)(H,106,107)(H,108,109)/p-4/b50-14-,51-26-,52-28-,53-30-,54-32-,55-34-,56-36-,57-38-,58-40+,59-42+,60-44+/t61-,62-,63-,64-,65-,66-,67+,68-,69-,70-,71+,72-,73-,74-,75-,76-,77+,78+,79+,80+,82+,83-,84+,85-,86-,88?/m1/s1
InChIKey:
UAHPPUFRFPMDJL-UDHJMYSOSA-J

Synonyms
  • pyruvoylated xanthan monomer

Databases
MetaCyc:  CPD-13262
PubChem (CID):  52940181
Seed:  cpd23802
MetaNetX:  MNXM14681