undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl- D-alanine

undecaprenyl-diphospho-<i>N</i>-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysyl- D-alanine




Chemical Formula:
C83H135N6O20P2
Molecular Weight:
1598.955 Daltons
Monoisotopic Mass:
1601.9519389551 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC1(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC[N+])C(NC(C)C(=O)[O-])=O)C(O)C(CO)O1))([O-])=O)C)C)C)C)C)C)C
InChI:
1S/C83H138N6O20P2/c1-56(2)29-19-30-57(3)31-20-32-58(4)33-21-34-59(5)35-22-36-60(6)37-23-38-61(7)39-24-40-62(8)41-25-42-63(9)43-26-44-64(10)45-27-46-65(11)47-28-48-66(12)52-54-105-110(101,102)109-111(103,104)108-83-75(87-70(16)91)77(76(93)73(55-90)107-83)106-69(15)79(95)85-67(13)78(94)89-72(82(99)100)50-51-74(92)88-71(49-17-18-53-84)80(96)86-68(14)81(97)98/h29,31,33,35,37,39,41,43,45,47,52,67-69,71-73,75-77,83,90,93H,17-28,30,32,34,36,38,40,42,44,46,48-51,53-55,84H2,1-16H3,(H,85,95)(H,86,96)(H,87,91)(H,88,92)(H,89,94)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/p-3/b57-31+,58-33+,59-35-,60-37-,61-39-,62-41-,63-43-,64-45-,65-47-,66-52-/t67-,68+,69+,71-,72+,73+,75+,76+,77+,83+/m0/s1
InChIKey:
KCROFJGXXSCHGA-YGMFIXCYSA-K

Synonyms
  • mur2Ac(oyl-L-Ala-γ-D-Glu-L-Lys-D-Ala)-diphosphoundecaprenol
  • lipid I (tetrapeptide)

Databases
MetaCyc:  CPD-12303
PubChem (CID):  90657616
Seed:  cpd23338
MetaNetX:  MNXM12378