M-antigen (variant) monomer undecaprenyl diphosphate
Chemical Formula:
C100H154O41P2
Molecular Weight:
2074.239 Daltons
Monoisotopic Mass:
2076.9753775979 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(OC7(OC(CO)C(O)C(OC6(OC(C)C(OC5(OC(C)C(O)C(OC4(OC(CO)C(O)C(OC3(OC(C(=O)[O-])C(OC2(OC1(COC(C)(C([O-])=O)OC1C(O)C(O)2)))C(O)C(O)3))C(OC(=O)C)4))C(O)5))C(OC(=O)C)C(OC(=O)C)6))C(O)7))(=O)[O-])C)C)C)C)C)C)C
InChI:
1S/C100H158O41P2/c1-19-54(2)30-20-31-55(3)32-21-33-56(4)34-22-35-57(5)36-23-37-58(6)38-24-39-59(7)40-25-41-60(8)42-26-43-61(9)44-27-45-62(10)46-28-47-63(11)48-29-49-64(12)52-124-142(119,120)141-143(121,122)140-96-81(114)85(74(107)70(50-101)130-96)135-97-91(129-69(17)105)88(127-67(15)103)82(66(14)126-97)133-95-80(113)84(73(106)65(13)125-95)134-98-90(128-68(16)104)86(75(108)71(51-102)131-98)136-94-79(112)77(110)87(89(138-94)92(115)116)137-93-78(111)76(109)83-72(132-93)53-123-100(18,139-83)99(117)118/h19,31,33,35,37,39,41,43,45,47,49,65-66,70-91,93-98,101-102,106-114H,20-30,32,34,36,38,40,42,44,46,48,50-53H2,1-18H3,(H,115,116)(H,117,118)(H,119,120)(H,121,122)/p-4/b54-19-,55-31-,56-33-,57-35-,58-37-,59-39-,60-41-,61-43-,62-45+,63-47+,64-49+/t65-,66-,70-,71+,72-,73+,74+,75-,76-,77+,78-,79+,80-,81+,82+,83+,84+,85-,86-,87-,88+,89-,90+,91-,93-,94+,95-,96-,97-,98+,100-/m1/s1
InChIKey:
Synonyms
- 4,6-pyruvyl-α-D-galactosyl-(1→4)-β-D-glucoronosyl-(1→3)-2-O-acetyl-α-D-galactosyl-(1→3)-α-L-fucosyl-(1→4)-2,3-di-O-acetyl-α-L-fucosyl-(1→3)-α-D-glucosyl-diphosphoundecaprenol
Databases
MetaCyc:
CPD-21531
PubChem (CID):
135398049