β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol

Chemical Formula:

C₆₇H₁₁₀O₁₇P₂

Molecular Weight:

1249.543 Daltons

Monoisotopic Mass:

1250.7374751909 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-])OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)2))C)C)C)C)C)C)C

InChI:

1S/C67H112O17P2/c1-13-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)46-79-85(75,76)84-86(77,78)83-67-64(74)62(72)65(59(45-69)81-67)82-66-63(73)61(71)60(70)58(44-68)80-66/h13,25,27,29,31,33,35,37,39,41,43,58-74H,14-24,26,28,30,32,34,36,38,40,42,44-46H2,1-12H3,(H,75,76)(H,77,78)/p-2/b47-13-,48-25-,49-27-,50-29-,51-31-,52-33-,53-35-,54-37-,55-39+,56-41+,57-43+/t58-,59-,60-,61+,62-,63-,64-,65-,66+,67-/m1/s1

InChIKey:

PISUQUAXARITNN-JRSQUVJUSA-L

Synonyms

D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol
cellobiosyl-diphosphoundecaprenol

Databases

MetaCyc: CPD-12768

PubChem (CID): 52940258

Seed: cpd23566

MetaNetX: MNXM13291