ditrans,octacis-undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine
Chemical Formula:
C94H155N9O25P2
Molecular Weight:
1873.251 Daltons
Monoisotopic Mass:
1875.0844096911 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(OP(=O)([O-])OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)N)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-])C)C)C)C)C)C)C
InChI:
1S/C94H157N9O25P2/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)54-56-122-129(118,119)128-130(120,121)127-94-82(101-75(18)107)86(85(79(58-105)125-94)126-93-81(100-74(17)106)84(110)83(109)78(57-104)124-93)123-73(16)90(114)97-71(14)89(113)103-76(87(96)111)52-53-80(108)102-77(51-19-20-55-95)91(115)98-70(13)88(112)99-72(15)92(116)117/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,104-105,109-110H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H2,96,111)(H,97,114)(H,98,115)(H,99,112)(H,100,106)(H,101,107)(H,102,108)(H,103,113)(H,116,117)(H,118,119)(H,120,121)/p-2/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:
Synonyms
- lipid II
- undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-N-acetylglucosamine
- GlcNAc-(1->4)-MurNAc(oyl-L-Ala-γ-D-iGln-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol
Databases
MetaCyc:
CPD-12298
ChEBI:
62233
PubChem (CID):
52921619
Seed:
cpd03492
MetaNetX:
MNXM3113
KEGG:
C05894