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

Structural Information

Molecular Formula

C₁₃₁H₁₄₇Br₄N₃₅O₇₆P₁₀S

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]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)N1C=NC2=C1N=C(NC2=O)N)OC(=S)NC1=CC(=C(C=C1)C1=C2C=C(C(=O)C(=C2OC2=C(C(=C(C=C12)Br)O)Br)Br)Br)C(=O)O

InChI

InChI=1S/C131H147Br4N35O76P10S/c1-46-24-160(124(187)153-108(46)174)82-13-60(235-131(257)144-53-8-9-54(55(10-53)119(185)186)93-56-11-58(132)100(172)94(134)102(56)236-103-57(93)12-59(133)101(173)95(103)135)72(225-82)32-214-248(196,197)244-68-21-90(168-43-141-97-105(168)146-121(137)150-116(97)182)233-80(68)40-222-253(206,207)243-67-20-88(166-30-52(7)114(180)159-130(166)193)231-78(67)38-221-256(212,213)246-70-23-92(170-45-143-99-107(170)148-123(139)152-118(99)184)234-81(70)41-223-254(208,209)242-66-19-87(165-29-51(6)113(179)158-129(165)192)229-76(66)36-219-251(202,203)240-64-17-85(163-27-49(4)111(177)156-127(163)190)227-74(64)34-217-249(198,199)238-62-15-83(161-25-47(2)109(175)154-125(161)188)226-73(62)33-216-250(200,201)239-63-16-84(162-26-48(3)110(176)155-126(162)189)228-75(63)35-218-252(204,205)241-65-18-86(164-28-50(5)112(178)157-128(164)191)230-77(65)37-220-255(210,211)245-69-22-91(169-44-142-98-106(169)147-122(138)151-117(98)183)232-79(69)39-215-247(194,195)237-61-14-89(224-71(61)31-171)167-42-140-96-104(167)145-120(136)149-115(96)181/h8-12,24-30,42-45,60-92,171-172H,13-23,31-41H2,1-7H3,(H,144,257)(H,185,186)(H,194,195)(H,196,197)(H,198,199)(H,200,201)(H,202,203)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H,212,213)(H,153,174,187)(H,154,175,188)(H,155,176,189)(H,156,177,190)(H,157,178,191)(H,158,179,192)(H,159,180,193)(H3,136,145,149,181)(H3,137,146,150,182)(H3,138,147,151,183)(H3,139,148,152,184)/t60-,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+/m0/s1

InChIKey

GFBFUMBPGAIBFG-ZGXNOMHLSA-N

Compound name

5-[[(2R,3S,5R)-2-[[[(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-(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]oxycarbothioylamino]-2-(2,4,5,7-tetrabromo-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid

Related CIDs

• CID 16729326