Chebi:138439

Structural Information

Molecular Formula

C₁₀₅H₁₇₅NO₄₇P₂

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)O)O[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)CO)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[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[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O)O)NC(=O)C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C

InChI

InChI=1S/C105H175NO47P2/c1-54(2)24-14-25-55(3)26-15-27-56(4)28-16-29-57(5)30-17-31-58(6)32-18-33-59(7)34-19-35-60(8)36-20-37-61(9)38-21-39-62(10)40-22-41-63(11)42-23-43-64(12)44-45-136-154(132,133)153-155(134,135)152-98-74(106-65(13)115)91(78(119)69(49-110)137-98)145-100-87(128)93(80(121)70(50-111)139-100)147-102-90(131)95(82(123)73(53-114)141-102)149-104-97(85(126)77(118)67(47-108)143-104)151-105-96(84(125)76(117)68(48-109)144-105)150-103-89(130)94(81(122)72(52-113)142-103)148-101-88(129)92(79(120)71(51-112)140-101)146-99-86(127)83(124)75(116)66(46-107)138-99/h24,26,28,30,32,34,36,38,40,42,44,66-105,107-114,116-131H,14-23,25,27,29,31,33,35,37,39,41,43,45-53H2,1-13H3,(H,106,115)(H,132,133)(H,134,135)/b55-26+,56-28+,57-30-,58-32-,59-34-,60-36-,61-38-,62-40-,63-42-,64-44-/t66-,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-,102-,103-,104-,105-/m1/s1

InChIKey

PEKCGWVETOEGDP-YFNJDAGPSA-N

Compound name

[(2R,3R,4R,5S,6R)-3-acetamido-4-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-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 129320339