CID 16204655
5'-tggtgggcg-3'
Structural Information
- Molecular Formula
- C89H112N37O48P9S9
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C89H112N37O48P9S9/c1-31-14-119(88(137)116-73(31)128)54-7-35(43(160-54)17-149-175(139,140)184)168-177(142,186)153-20-46-39(11-58(162-46)124-28-100-64-70(124)107-84(94)113-78(64)133)172-181(146,190)156-23-49-38(10-57(165-49)123-27-99-63-69(123)106-83(93)112-77(63)132)171-180(145,189)152-19-45-36(8-55(161-45)120-15-32(2)74(129)117-89(120)138)169-178(143,187)154-21-47-40(12-59(163-47)125-29-101-65-71(125)108-85(95)114-79(65)134)173-182(147,191)157-24-50-41(13-60(166-50)126-30-102-66-72(126)109-86(96)115-80(66)135)174-183(148,192)155-22-48-37(9-56(164-48)122-26-98-62-68(122)105-82(92)111-76(62)131)170-179(144,188)151-18-44-34(6-53(159-44)118-4-3-51(90)103-87(118)136)167-176(141,185)150-16-42-33(127)5-52(158-42)121-25-97-61-67(121)104-81(91)110-75(61)130/h3-4,14-15,25-30,33-50,52-60,127H,5-13,16-24H2,1-2H3,(H,141,185)(H,142,186)(H,143,187)(H,144,188)(H,145,189)(H,146,190)(H,147,191)(H,148,192)(H2,90,103,136)(H,116,128,137)(H,117,129,138)(H2,139,140,184)(H3,91,104,110,130)(H3,92,105,111,131)(H3,93,106,112,132)(H3,94,107,113,133)(H3,95,108,114,134)(H3,96,109,115,135)
- InChIKey
- FGSSMYXRXJPNOH-UHFFFAOYSA-N
- Compound name
- 1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3034.2658 | 294.4 |
[M+Na]+ | 3056.2477 | 298.4 |
[M-H]- | 3032.2512 | 294.9 |
[M+NH4]+ | 3051.2923 | 295.9 |
[M+K]+ | 3072.2217 | 296.4 |
[M+H-H2O]+ | 3016.2558 | 294.9 |
[M+HCOO]- | 3078.2567 | 296.1 |
[M+CH3COO]- | 3092.2724 | 296.5 |
[M+Na-2H]- | 3054.2332 | 299.1 |
[M]+ | 3033.2580 | 298.3 |
[M]- | 3033.2590 | 298.3 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.