Man2-glcnac-pp-undecaprenol

Structural Information

Molecular Formula

C₇₅H₁₂₅NO₂₂P₂

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@@H]([C@H](O1)CO)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C75H125NO22P2/c1-49(2)24-14-25-50(3)26-15-27-51(4)28-16-29-52(5)30-17-31-53(6)32-18-33-54(7)34-19-35-55(8)36-20-37-56(9)38-21-39-57(10)40-22-41-58(11)42-23-43-59(12)44-45-91-99(87,88)98-100(89,90)97-73-64(76-60(13)80)71(66(82)62(47-78)92-73)95-75-70(86)72(67(83)63(48-79)94-75)96-74-69(85)68(84)65(81)61(46-77)93-74/h24,26,28,30,32,34,36,38,40,42,44,61-75,77-79,81-86H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,76,80)(H,87,88)(H,89,90)/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71-,72+,73-,74-,75-/m1/s1

InChIKey

WEOMLABQFSVBKP-PARKMBRWSA-N

Compound name

[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-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 129320284