β-D-glucosyl-(1→4)-N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

Chemical Formula:

C₆₉H₁₁₃NO₁₇P₂

Molecular Weight:

1290.596 Daltons

Monoisotopic Mass:

1291.7640242924 Daltons

SMILES:

CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)([O-])OP([O-])(=O)OC1(C(C(C(C(O1)CO)OC2(OC(CO)C(O)C(O)C(O)2))O)NC(C)=O))C)C)C)C)C)C)C

InChI:

1S/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,79)87-89(80,81)86-68-62(70-59(13)73)64(75)67(61(47-72)84-68)85-69-66(77)65(76)63(74)60(46-71)83-69/h24,26,28,30,32,34,36,38,40,42,44,60-69,71-72,74-77H,14-23,25,27,29,31,33,35,37,39,41,43,45-47H2,1-13H3,(H,70,73)(H,78,79)(H,80,81)/p-2/b49-26+,50-28+,51-30-,52-32-,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-/t60-,61-,62-,63-,64-,65+,66-,67-,68-,69+/m1/s1

InChIKey:

UUCCUHBMBRNBLG-RDRPKIEGSA-L

Databases

MetaCyc: BETA-D-GLUCOSYL-14-N-ACETYL-D-GLUCOSAMI

ChEBI: 132174

PubChem (CID): 90658065

Seed: cpd02933

MetaNetX: MNXM3930

KEGG: C04830