input word = C00019563

Metabolite InformationStructural formula
Name Lipid I
Undecaprenyl diphosphate MurNAc pentapeptide
Formula C86H143N7O21P2
Mw 1671.98122766
CAS RN 235083-73-5
C_ID C00019563 ,
InChIKey SULOOAFLXMQJSF-VOPBLHBUNA-N
InChICode InChI=1S/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115(106,107)114-116(108,109)113-86-77(91-72(17)95)79(78(97)75(56-94)112-86)111-71(16)82(100)88-69(14)81(99)93-74(85(104)105)51-52-76(96)92-73(50-18-19-54-87)83(101)89-68(13)80(98)90-70(15)84(102)103/h30,32,34,36,38,40,42,44,46,48,53,68-71,73-75,77-79,86,94,97H,18-29,31,33,35,37,39,41,43,45,47,49-52,54-56,87H2,1-17H3,(H,88,100)(H,89,101)(H,90,98)(H,91,95)(H,92,96)(H,93,99)(H,102,103)(H,104,105)(H,106,107)(H,108,109)/b58-32+,59-34+,60-36+,61-38-,62-40-,63-42-,64-44-,65-46-,66-48-,67-53-/t68-,69+,70-,71-,73+,74-,75-,77-,78+,79+,86+/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
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
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