Chebi:167472

Structural Information

Molecular Formula

C₇₉H₁₃₂O₂₆P₂

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@@H]([C@H](O[C@@H]([C@@H]4O)OP(=O)(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)/CCC=C(C)C)CO)O)CO)O)O)CO)O)O)O)O)O

InChI

InChI=1S/C79H132O26P2/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)44-45-96-106(92,93)105-107(94,95)104-77-72(91)73(67(86)63(48-82)98-77)101-78-75(70(89)66(85)61(46-80)99-78)103-79-74(69(88)65(84)62(47-81)100-79)102-76-71(90)68(87)64(83)60(13)97-76/h24,26,28,30,32,34,36,38,40,42,44,60-91H,14-23,25,27,29,31,33,35,37,39,41,43,45-48H2,1-13H3,(H,92,93)(H,94,95)/b50-26+,51-28+,52-30-,53-32-,54-34-,55-36-,56-38-,57-40-,58-42-,59-44-/t60-,61+,62+,63+,64-,65+,66+,67+,68+,69-,70-,71+,72+,73-,74-,75-,76-,77+,78+,79+/m0/s1

InChIKey

ACQGDWIIHAHMOT-UHPITABZSA-N

Compound name

[(2R,3R,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-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 155802552