Chebi:132521

Structural Information

Molecular Formula

C₁₀₁H₁₇₂N₂O₆₇P₂

SMILES

CC(CC/C=C(/C)\CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)CCOP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)NC(=O)C)O)NC(=O)C

InChI

InChI=1S/C101H172N2O67P2/c1-35(2)13-9-14-36(3)15-10-16-37(4)17-11-18-38(5)19-12-20-39(6)21-22-147-171(141,142)170-172(143,144)169-91-55(103-41(8)115)67(127)81(51(32-113)157-91)160-90-54(102-40(7)114)66(126)82(50(31-112)156-90)161-97-80(140)85(164-100-89(74(134)62(122)47(28-109)154-100)168-101-88(73(133)61(121)48(29-110)155-101)167-96-79(139)83(63(123)49(30-111)151-96)162-93-75(135)68(128)56(116)42(23-104)148-93)65(125)53(159-97)33-145-92-78(138)84(163-99-87(72(132)60(120)46(27-108)153-99)166-95-77(137)70(130)58(118)44(25-106)150-95)64(124)52(158-92)34-146-98-86(71(131)59(119)45(26-107)152-98)165-94-76(136)69(129)57(117)43(24-105)149-94/h13,15,17,19,39,42-101,104-113,116-140H,9-12,14,16,18,20-34H2,1-8H3,(H,102,114)(H,103,115)(H,141,142)(H,143,144)/b36-15+,37-17+,38-19-/t39?,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80+,81-,82-,83+,84+,85+,86+,87+,88+,89+,90+,91-,92+,93-,94-,95-,96-,97+,98+,99-,100-,101-/m1/s1

InChIKey

QMFREIZLXBMAEK-AMCGKUJKSA-N

Compound name

[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl] [hydroxy-[(6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraenoxy]phosphoryl] hydrogen phosphate

Related CIDs

• CID 121232704