ditrans,octacis-undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine

<i>ditrans,octacis</i>-undecaprenyldiphospho-<i>N</i>-acetyl-(<i>N</i>-acetylglucosaminyl)muramoyl-L-alanyl-γ-D-isoglutaminyl-L-lysyl-(glycyl)<sub>5</sub>-D-alanyl-D-alanine




Chemical Formula:
C104H170N14O30P2
Molecular Weight:
2158.51 Daltons
Monoisotopic Mass:
2160.1917283091 Daltons
SMILES:
CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCOP([O-])(=O)OP([O-])(=O)OC2(OC(CO)C(OC1(OC(CO)C(O)C(O)C(NC(=O)C)1))C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(NC(C)C(NC(C(=O)[O-])C)=O)=O)C(=O)N)C(NC(C)=O)2))C)C)C)C)C)C
InChI:
1S/C104H172N14O30P2/c1-64(2)31-21-32-65(3)33-22-34-66(4)35-23-36-67(5)37-24-38-68(6)39-25-40-69(7)41-26-42-70(8)43-27-44-71(9)45-28-46-72(10)47-29-48-73(11)49-30-50-74(12)54-56-142-149(138,139)148-150(140,141)147-104-92(116-80(18)122)96(95(84(63-120)145-104)146-103-91(115-79(17)121)94(130)93(129)83(62-119)144-103)143-78(16)100(134)112-76(14)99(133)118-81(97(106)131)52-53-85(123)117-82(101(135)113-75(13)98(132)114-77(15)102(136)137)51-19-20-55-107-87(125)58-109-89(127)60-111-90(128)61-110-88(126)59-108-86(124)57-105/h31,33,35,37,39,41,43,45,47,49,54,75-78,81-84,91-96,103-104,119-120,129-130H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-63,105H2,1-18H3,(H2,106,131)(H,107,125)(H,108,124)(H,109,127)(H,110,126)(H,111,128)(H,112,134)(H,113,135)(H,114,132)(H,115,121)(H,116,122)(H,117,123)(H,118,133)(H,136,137)(H,138,139)(H,140,141)/p-2/b65-33+,66-35+,67-37-,68-39-,69-41-,70-43-,71-45-,72-47-,73-49-,74-54-/t75-,76+,77-,78-,81-,82+,83-,84-,91-,92-,93-,94-,95-,96-,103+,104-/m1/s1
InChIKey:
CXIOLGPNCLFPPI-SUNKJSOLSA-L

Synonyms
  • GlcNAc-(1->4)-MurNAc(oyl-L-Ala-γ-D-Glu-L-Lys-(Gly)5-D-Ala-D-Ala)-diphosphoundecaprenol
  • undecaprenyl-pyrophosphoryl-MurNAc-(pentapeptide)-(glycyl)5-N-acetylglucosamine
  • N-acetyl-muramoyl-(pentapeptide)-(glycyl)5-N-acetylglucosamine-diphosphoundecaprenol
  • N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-(glycyl)5-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine
  • GlcNAc-(1->4)-MurNAc(oyl-L-Ala-γ-D-isoGln-L-Lys-(Gly)5-D-Ala-D-Ala)-diphosphoundecaprenol
  • a peptidoglycan monomer (S. aureus)
  • N-acetylmuramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-(N6-pentaglycyl)-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine

Databases
MetaCyc:  CPD-12297
ChEBI:  62236
PubChem (CID):  52921622
Seed:  cpd03493
MetaNetX:  MNXM6468
KEGG:  C05895