α-D-glucosyl-(1→3)-N,N'-diacetyl-α-D-bacillosaminyl-diphospho-di-trans,octa-cis-undecaprenol

α-D-glucosyl-(1→3)-<i>N,N'</i>-diacetyl-α-D-bacillosaminyl-diphospho-<i>di-trans,octa-cis</i>-undecaprenol




Chemical Formula:
C71H116N2O16P2
Molecular Weight:
1315.649 Daltons
Monoisotopic Mass:
1316.7956587718002 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC2(OC(C)C(NC(=O)C)C(OC1(OC(CO)C(O)C(O)C(O)1))C(NC(=O)C)2))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C71H118N2O16P2/c1-49(2)26-16-27-50(3)28-17-29-51(4)30-18-31-52(5)32-19-33-53(6)34-20-35-54(7)36-21-37-55(8)38-22-39-56(9)40-23-41-57(10)42-24-43-58(11)44-25-45-59(12)46-47-84-90(80,81)89-91(82,83)88-70-65(73-62(15)76)69(64(60(13)85-70)72-61(14)75)87-71-68(79)67(78)66(77)63(48-74)86-71/h26,28,30,32,34,36,38,40,42,44,46,60,63-71,74,77-79H,16-25,27,29,31,33,35,37,39,41,43,45,47-48H2,1-15H3,(H,72,75)(H,73,76)(H,80,81)(H,82,83)/p-2/b50-28+,51-30+,52-32+,53-34-,54-36-,55-38-,56-40-,57-42-,58-44-,59-46-/t60-,63-,64-,65-,66-,67+,68-,69+,70-,71-/m1/s1
InChIKey:
ZFCXXZJITFLNKV-HJVXFRPISA-L

Databases
MetaCyc:  CPD-14297
PubChem (CID):  91820515
Seed:  cpd24279
MetaNetX:  MNXM97559