α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-ditrans,octacis-undecaprenol

α-D-Man-(1→3)-β-D-Glc-(1→4)-α-D-Glc-1-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C73H120O22P2
Molecular Weight:
1411.685 Daltons
Monoisotopic Mass:
1412.7902986224 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-])OC3(OC(CO)C(OC2(OC(CO)C(O)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2))C(O)C(O)3))C)C)C)C)C)C)C
InChI:
1S/C73H122O22P2/c1-13-48(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)47-88-96(84,85)95-97(86,87)94-73-67(82)65(80)69(61(46-76)91-73)92-72-68(83)70(63(78)60(45-75)90-72)93-71-66(81)64(79)62(77)59(44-74)89-71/h13,25,27,29,31,33,35,37,39,41,43,59-83H,14-24,26,28,30,32,34,36,38,40,42,44-47H2,1-12H3,(H,84,85)(H,86,87)/p-2/b48-13-,49-25-,50-27-,51-29-,52-31-,53-33-,54-35-,55-37-,56-39+,57-41+,58-43+/t59-,60-,61-,62-,63-,64+,65-,66+,67-,68-,69-,70+,71-,72+,73-/m1/s1
InChIKey:
UKXCGEAWKVTCEG-NEKAKINZSA-L

Synonyms
  • D-Man-α-(1,3)-D-Glc-β-(1,4)-Glc-α-1-diphosphoundecaprenol
  • α-D-mannosyl-(1,3)-β-D-glucosyl-(1,4)-α-D-glucosyl-diphosphoundecaprenol

Databases
MetaCyc:  CPD-12769
ChEBI:  61252
PubChem (CID):  52940154
MetaNetX:  MNXM2971
KEGG:  C19855