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

Structural Information

Molecular Formula

C₁₂₂H₁₅₂N₃₈O₇₁P₁₀S

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[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]1COCCC1=C(N2CC3=CN=C(N=C3N=C2S1)C)C)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)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C122H152N38O71P10S/c1-47-24-150(115(173)142-100(47)162)80-12-57(161)68(211-80)33-201-232(180,181)229-65-20-88(158-44-129-92-97(158)135-112(124)139-108(92)170)219-76(65)41-209-238(192,193)228-64-18-86(156-30-53(7)106(168)148-121(156)179)218-75(64)39-207-241(198,199)231-67-22-90(160-46-131-94-99(160)137-114(126)141-110(94)172)221-78(67)42-210-239(194,195)227-63-17-85(155-29-52(6)105(167)147-120(155)178)216-73(63)37-205-236(188,189)225-61-15-83(153-27-50(4)103(165)145-118(153)176)214-71(61)35-203-234(184,185)223-59-13-81(151-25-48(2)101(163)143-116(151)174)213-70(59)34-202-235(186,187)224-60-14-82(152-26-49(3)102(164)144-117(152)175)215-72(60)36-204-237(190,191)226-62-16-84(154-28-51(5)104(166)146-119(154)177)217-74(62)38-206-240(196,197)230-66-21-89(159-45-130-93-98(159)136-113(125)140-109(93)171)220-77(66)40-208-233(182,183)222-58-19-87(157-43-128-91-96(157)134-111(123)138-107(91)169)212-69(58)32-200-11-10-79-54(8)149-31-56-23-127-55(9)132-95(56)133-122(149)242-79/h23-30,43-46,57-78,80-90,161H,10-22,31-42H2,1-9H3,(H,180,181)(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,142,162,173)(H,143,163,174)(H,144,164,175)(H,145,165,176)(H,146,166,177)(H,147,167,178)(H,148,168,179)(H3,123,134,138,169)(H3,124,135,139,170)(H3,125,136,140,171)(H3,126,137,141,172)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+/m0/s1

InChIKey

DWHOWJYYOBCPMG-JZQQUNJXSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-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-[2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethoxymethyl]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] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16729330