Chebi:167582

Structural Information

Molecular Formula

C₈₁H₁₃₄O₂₇P₂

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)OC(=O)C)O)O

InChI

InChI=1S/C81H134O27P2/c1-50(2)25-15-26-51(3)27-16-28-52(4)29-17-30-53(5)31-18-32-54(6)33-19-34-55(7)35-20-36-56(8)37-21-38-57(9)39-22-40-58(10)41-23-42-59(11)43-24-44-60(12)45-46-98-109(94,95)108-110(96,97)107-78-73(93)74(69(89)65(49-84)101-78)104-80-76(71(91)67(87)63(47-82)102-80)106-81-77(72(92)68(88)64(48-83)103-81)105-79-75(100-62(14)85)70(90)66(86)61(13)99-79/h25,27,29,31,33,35,37,39,41,43,45,61,63-84,86-93H,15-24,26,28,30,32,34,36,38,40,42,44,46-49H2,1-14H3,(H,94,95)(H,96,97)/b51-27+,52-29+,53-31-,54-33-,55-35-,56-37-,57-39-,58-41-,59-43-,60-45-/t61-,63+,64+,65+,66-,67+,68+,69-,70+,71-,72-,73+,74-,75+,76-,77-,78+,79-,80+,81+/m0/s1

InChIKey

VMZHJYXTZIBKAT-PHNFHCGCSA-N

Compound name

[(2S,3R,4R,5R,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-4,5-dihydroxy-6-methyloxan-3-yl] acetate

Related CIDs

• CID 155818791