α-D-mannosyl-(1→3)-α-D-mannosyl-(1→3)-N-acetyl-α-D-glucosaminyl-diphospho-ditrans,octacis-undecaprenol

α-D-mannosyl-(1→3)-α-D-mannosyl-(1→3)-<i>N</i>-acetyl-α-D-glucosaminyl-diphospho-<i>ditrans,octacis</i>-undecaprenol




Chemical Formula:
C75H123NO22P2
Molecular Weight:
1452.738 Daltons
Monoisotopic Mass:
1453.8168477239 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(O)C(O1)CO)OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)3))NC(C)=O))C)C)C)C)C)C)C
InChI:
1S/C75H125NO22P2/c1-49(2)24-14-25-50(3)26-15-27-51(4)28-16-29-52(5)30-17-31-53(6)32-18-33-54(7)34-19-35-55(8)36-20-37-56(9)38-21-39-57(10)40-22-41-58(11)42-23-43-59(12)44-45-91-99(87,88)98-100(89,90)97-73-64(76-60(13)80)71(66(82)62(47-78)92-73)95-75-70(86)72(67(83)63(48-79)94-75)96-74-69(85)68(84)65(81)61(46-77)93-74/h24,26,28,30,32,34,36,38,40,42,44,61-75,77-79,81-86H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,76,80)(H,87,88)(H,89,90)/p-2/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71-,72+,73-,74-,75-/m1/s1
InChIKey:
WEOMLABQFSVBKP-PARKMBRWSA-L

Synonyms
  • Man2-GlcNAc-PP-undecaprenol

Databases
MetaCyc:  CPD-20068
PubChem (CID):  129320284