LIPID MAPS

Structure Database (LMSD)

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Common Name

Lipid II (undecaprenyl diphosphate-MurNAc-pentapeptide-GlcNAc)

Systematic Name

GlcNAcβ1-4MurNAc-(L-Ala-γ-D-Glu-A2pm-D-Ala-D-Ala)-α-undecaprenyl diphosphate

Synonyms

LM ID

LMPR03030003

Formula

C₉₅H₁₅₆N₈O₂₈P₂

Exact Mass

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1919.050438

Status

Active

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Main

Classification

String Representations

InChiKey (Click to copy)

OXJNZXDFVLDLEI-LYKCJBLESA-N

InChi (Click to copy)

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)/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

SMILES (Click to copy)

[C@H](O[C@H]1[C@H](O[C@H]2[C@H](NC(=O)C)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](CO)O[C@@H](OP(=O)(OP(O)(=O)OC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)O)[C@@H]1NC(C)=O)(C(=O)NC(C(NC(C(O)=O)CCC(NC(CCCC(N)C(O)=O)C(NC(C)C(=O)NC(C)C(O)=O)=O)=O)=O)C)C