Glc-galnac-p-gro-p-mannac-glcnac-pp-undecaprenol

Structural Information

Molecular Formula

C₈₈H₁₄₉N₃O₃₅P₄

SMILES

CC(=CCC/C(=C/CC/C(=C/CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H](C([C@H](O1)CO)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)OP(=O)(O)OC[C@@H](COP(=O)(O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)NC(=O)C)O)O)NC(=O)C)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C88H149N3O35P4/c1-54(2)26-16-27-55(3)28-17-29-56(4)30-18-31-57(5)32-19-33-58(6)34-20-35-59(7)36-21-37-60(8)38-22-39-61(9)40-23-41-62(10)42-24-43-63(11)44-25-45-64(12)46-47-114-129(110,111)126-130(112,113)125-86-74(90-66(14)97)78(102)82(71(50-94)120-86)121-85-73(89-65(13)96)79(103)83(72(51-95)119-85)123-127(106,107)115-52-68(99)53-116-128(108,109)124-87-75(91-67(15)98)84(77(101)70(49-93)117-87)122-88-81(105)80(104)76(100)69(48-92)118-88/h26,28,30,32,34,36,38,40,42,44,46,68-88,92-95,99-105H,16-25,27,29,31,33,35,37,39,41,43,45,47-53H2,1-15H3,(H,89,96)(H,90,97)(H,91,98)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/b55-28+,56-30+,57-32-,58-34-,59-36-,60-38-,61-40-,62-42-,63-44-,64-46-/t68-,69+,70+,71+,72+,73-,74+,75+,76+,77-,78+,79+,80-,81+,82?,83+,84+,85-,86+,87-,88-/m0/s1

InChIKey

VAOCQQMTZXPKHS-VVYKKIMRSA-N

Compound name

[(2R,3R,4R,6R)-3-acetamido-5-[(2S,3S,4R,5S,6R)-3-acetamido-5-[[(2S)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate

Related CIDs

• CID 122706078