5'-d(ggtttttgtgt)-3'-chol

Structural Information

Molecular Formula

C₁₃₃H₁₈₁N₂₉O₇₂P₁₀

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3CCO[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

InChI

InChI=1S/C133H181N29O72P10/c1-58(2)14-13-15-59(3)70-18-19-71-69-17-16-67-26-68(20-23-132(67,11)72(69)21-24-133(70,71)12)213-131(181)224-74-27-95(153-37-60(4)111(164)146-124(153)174)215-86(74)46-204-235(182,183)225-73-22-25-202-85(73)45-203-236(184,185)227-76-29-96(154-38-61(5)112(165)147-125(154)175)216-87(76)47-210-243(198,199)234-83-36-104(162-57-139-107-110(162)142-123(136)145-120(107)173)223-94(83)54-212-242(196,197)232-81-34-101(159-43-66(10)117(170)152-130(159)180)220-91(81)51-209-240(192,193)230-79-32-99(157-41-64(8)115(168)150-128(157)178)218-89(79)49-207-238(188,189)228-77-30-97(155-39-62(6)113(166)148-126(155)176)217-88(77)48-206-239(190,191)229-78-31-98(156-40-63(7)114(167)149-127(156)177)219-90(78)50-208-241(194,195)231-80-33-100(158-42-65(9)116(169)151-129(158)179)221-92(80)52-211-244(200,201)233-82-35-103(161-56-138-106-109(161)141-122(135)144-119(106)172)222-93(82)53-205-237(186,187)226-75-28-102(214-84(75)44-163)160-55-137-105-108(160)140-121(134)143-118(105)171/h16,37-43,55-59,68-104,163H,13-15,17-36,44-54H2,1-12H3,(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,146,164,174)(H,147,165,175)(H,148,166,176)(H,149,167,177)(H,150,168,178)(H,151,169,179)(H,152,170,180)(H3,134,140,143,171)(H3,135,141,144,172)(H3,136,142,145,173)/t59-,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-,132+,133-/m1/s1

InChIKey

HELHRSIGPKYXIM-QGWIZUJPSA-N

Compound name

[(2R,3S,5R)-2-[[[(2R,3S)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate

Related CIDs

• CID 135771957