Chebi:167601

Structural Information

Molecular Formula

C₈₇H₁₄₄O₃₀P₂

SMILES

C[C@@H]1[C@@H](C[C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2OC(=O)C)O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3O[C@H]4[C@H]([C@@H]([C@H](O[C@@H]4O[C@H]5[C@H]([C@H](O[C@@H]([C@@H]5O)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)C)O)O)O

InChI

InChI=1S/C87H144O30P2/c1-52(2)26-16-27-53(3)28-17-29-54(4)30-18-31-55(5)32-19-33-56(6)34-20-35-57(7)36-21-37-58(8)38-22-39-59(9)40-23-41-60(10)42-24-43-61(11)44-25-45-62(12)46-47-105-118(101,102)117-119(103,104)116-84-77(100)78(74(97)70(51-90)109-84)112-85-80(75(98)72(95)68(49-88)110-85)114-86-81(76(99)73(96)69(50-89)111-86)115-87-82(108-65(15)91)79(71(94)64(14)107-87)113-83-67(93)48-66(92)63(13)106-83/h26,28,30,32,34,36,38,40,42,44,46,63-64,66-90,92-100H,16-25,27,29,31,33,35,37,39,41,43,45,47-51H2,1-15H3,(H,101,102)(H,103,104)/b53-28+,54-30+,55-32-,56-34-,57-36-,58-38-,59-40-,60-42-,61-44-,62-46-/t63-,64+,66-,67-,68-,69-,70-,71+,72-,73-,74+,75+,76+,77-,78+,79-,80+,81+,82-,83-,84-,85-,86-,87+/m1/s1

InChIKey

DIOSJYAHXQXREE-JPDDABNASA-N

Compound name

[(2S,3R,4R,5S,6S)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-2-[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]oxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-3-yl] acetate

Related CIDs

• CID 155818793