ditrans,octacis-undecaprenyldiphospho-N-acetyl-(N-acetyl-β-D-glucosaminyl)muramoyl-L-alanyl-γ-O-phospho-D-glutamyl-L-lysyl-D-alanyl-D-alanine

<i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetyl-β-D-glucosaminyl)muramoyl-L-alanyl-γ-<i>O</i>-phospho-D-glutamyl-L-lysyl-D-alanyl-D-alanine




Chemical Formula:
C94H153N8O29P3
Molecular Weight:
1952.2 Daltons
Monoisotopic Mass:
1956.0347556843 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP(=O)([O-])OC2(C(NC(C)=O)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)OP([O-])(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)NC(C)C([O-])=O)=O)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(CO)O2))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C94H157N8O29P3/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-124-133(120,121)131-134(122,123)130-94-82(100-75(18)106)86(85(79(58-104)127-94)128-93-81(99-74(17)105)84(109)83(108)78(57-103)126-93)125-73(16)89(112)96-71(14)88(111)102-77(92(116)129-132(117,118)119)52-53-80(107)101-76(51-19-20-55-95)90(113)97-70(13)87(110)98-72(15)91(114)115/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,108-109H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,112)(H,97,113)(H,98,110)(H,99,105)(H,100,106)(H,101,107)(H,102,111)(H,114,115)(H,120,121)(H,122,123)(H2,117,118,119)/p-4/b60-33+,61-35+,62-37-,63-39-,64-41-,65-43-,66-45-,67-47-,68-49-,69-54-/t70-,71+,72-,73-,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,93+,94-/m1/s1
InChIKey:
YVDOHCYUJLXIMH-OVTFQNCVSA-J

Databases
MetaCyc:  CPD-21711
ChEBI:  143132
PubChem (CID):  135398022