Beta-d-glca-(1->4)-beta-d-glca-(1->3)-alpha-d-galnac-(1->6)-alpha-d-galnac-diphospho-ditrans,octacis-undecaprenol

Structural Information

Molecular Formula

C₈₃H₁₃₄N₂O₂₉P₂

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[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)C(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O)NC(=O)C)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C83H134N2O29P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-106-115(101,102)114-116(103,104)113-81-64(84-60(13)87)68(91)66(89)63(108-81)48-105-80-65(85-61(14)88)74(67(90)62(47-86)107-80)109-83-73(96)71(94)75(77(112-83)79(99)100)110-82-72(95)69(92)70(93)76(111-82)78(97)98/h25,27,29,31,33,35,37,39,41,43,45,62-77,80-83,86,89-96H,15-24,26,28,30,32,34,36,38,40,42,44,46-48H2,1-14H3,(H,84,87)(H,85,88)(H,97,98)(H,99,100)(H,101,102)(H,103,104)/b50-27+,51-29+,52-31-,53-33-,54-35-,55-37-,56-39-,57-41-,58-43-,59-45-/t62-,63-,64-,65-,66+,67+,68-,69+,70+,71-,72-,73-,74-,75+,76+,77+,80+,81-,82-,83-/m1/s1

InChIKey

RRUWUEGMDWWMSP-JFDWEALYSA-N

Compound name

(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-acetamido-2-[[(2R,3R,4R,5R,6R)-5-acetamido-3,4-dihydroxy-6-[hydroxy-[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]oxyphosphoryl]oxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Related CIDs

• CID 122706127