CID 86574713
5'-actggtttgt-3'
Structural Information
- Molecular Formula
- C99H127N33O65P10
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)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=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C99H127N33O65P10/c1-38-18-124(95(143)118-83(38)134)64-8-43(133)53(179-64)23-170-199(151,152)195-50-15-71(130-35-108-75-80(130)112-91(102)115-88(75)139)186-60(50)30-176-203(159,160)193-48-13-69(128-22-42(5)87(138)122-99(128)147)183-58(48)28-174-201(155,156)190-45-10-66(125-19-39(2)84(135)119-96(125)144)182-57(45)27-173-202(157,158)191-46-11-67(126-20-40(3)85(136)120-97(126)145)184-59(46)29-175-206(165,166)196-51-16-72(131-36-109-76-81(131)113-92(103)116-89(76)140)188-62(51)32-178-207(167,168)197-52-17-73(132-37-110-77-82(132)114-93(104)117-90(77)141)187-61(52)31-177-204(161,162)192-47-12-68(127-21-41(4)86(137)121-98(127)146)181-56(47)26-172-200(153,154)189-44-9-65(123-7-6-63(100)111-94(123)142)180-55(44)25-171-205(163,164)194-49-14-70(185-54(49)24-169-198(148,149)150)129-34-107-74-78(101)105-33-106-79(74)129/h6-7,18-22,33-37,43-62,64-73,133H,8-17,23-32H2,1-5H3,(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H2,100,111,142)(H2,101,105,106)(H,118,134,143)(H,119,135,144)(H,120,136,145)(H,121,137,146)(H,122,138,147)(H2,148,149,150)(H3,102,112,115,139)(H3,103,113,116,140)(H3,104,114,117,141)
- InChIKey
- DSAOESBFPZUZMI-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)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]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] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3128.5095 | 286.2 |
[M+Na]+ | 3150.4914 | 290.5 |
[M-H]- | 3126.4949 | 287.8 |
[M+NH4]+ | 3145.5360 | 287.8 |
[M+K]+ | 3166.4654 | 287.9 |
[M+H-H2O]+ | 3110.4995 | 285.6 |
[M+HCOO]- | 3172.5004 | 288.2 |
[M+CH3COO]- | 3186.5161 | 288.7 |
[M+Na-2H]- | 3148.4769 | 294.0 |
[M]+ | 3127.5017 | 287.7 |
[M]- | 3127.5027 | 287.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.