ditrans,octacis-undecaprenyldiphospho-[(N-acetyl-β-D-glucosaminyl)-(1,4)-]-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine

Chemical Formula:

C₉₅H₁₅₂N₈O₂₈P₂

Molecular Weight:

1916.23 Daltons

Monoisotopic Mass:

1920.0582545201 Daltons

SMILES:

CC(C)=CCCC(C)=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(C)=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(OP([O-])(=O)OC2(C(NC(=O)C)C(OC(C)C(=O)NC(C)C(=O)NC(C(=O)[O-])CCC(=O)NC(CCCC([N+])C([O-])=O)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/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132(121,122)131-133(123,124)130-95-82(101-74(18)107)86(85(79(57-105)128-95)129-94-81(100-73(17)106)84(110)83(109)78(56-104)127-94)126-72(16)89(113)97-70(14)88(112)103-77(93(119)120)52-53-80(108)102-76(51-29-50-75(96)92(117)118)90(114)98-69(13)87(111)99-71(15)91(115)116/h30,32,34,36,38,40,42,44,46,48,54,69-72,75-79,81-86,94-95,104-105,109-110H,19-29,31,33,35,37,39,41,43,45,47,49-53,55-57,96H2,1-18H3,(H,97,113)(H,98,114)(H,99,111)(H,100,106)(H,101,107)(H,102,108)(H,103,112)(H,115,116)(H,117,118)(H,119,120)(H,121,122)(H,123,124)/p-4/b59-32+,60-34+,61-36-,62-38-,63-40-,64-42-,65-44-,66-46-,67-48-,68-54-/t69-,70+,71-,72-,75+,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,94+,95-/m1/s1

InChIKey:

OXJNZXDFVLDLEI-BRNOVCDWSA-J

Synonyms

a peptidoglycan with (L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine) pentapeptide
diphosphoundecaprenyl-[GlcNAc-MurNAc-pentapeptide]_n
lipid intermediate II
undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-γ-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala
lipid II

Databases

MetaCyc: C6

PubChem (CID): 129320447 86289097

BiGG: uaagmda

ChEBI: 61388

KEGG: C05898

Seed: cpd03495

MetaNetX: MNXM722781