input word = C00019564

Metabolite InformationStructural formula
Name Lipid II
Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine-N-acetylglucoside
Formula C94H156N8O26P2
Mw 1875.0606002
CAS RN 339578-22-2
C_ID C00019564 ,
InChIKey ULXTYUPMJXVUHQ-KVKLXDGJNA-N
InChICode InChI=1S/C94H156N8O26P2/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(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(109)83(108)78(57-103)124-93)123-73(16)89(112)96-71(14)88(111)102-77(92(116)117)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,116,117)(H,118,119)(H,120,121)/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+/m0/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@H](O[C@@H]1CO)O[P@](=O)(O)O[P@@](=O)(OC/C=C(\CC/C=C(\CC/C=C(\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)/C)/C)/C)O)NC(=O)C)O[C@H](C(=O)N[C@@H](C(=O)N[C@@H](CCC(=O)N[C@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)C(=O)O)C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
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