CID 16729324
5'-d[ggtttttgtgt]-3'
Structural Information
- Molecular Formula
- C110H140N34O71P10
- 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)OC1CC(OC1CO)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/C110H140N34O71P10/c1-41-19-134(104(158)127-89(41)147)70-8-48(146)60(196-70)27-185-216(165,166)213-56-16-78(142-38-116-82-86(142)120-101(112)124-97(82)155)204-68(56)35-193-222(177,178)212-55-15-76(140-25-47(7)95(153)133-110(140)164)202-66(55)33-192-225(183,184)215-58-18-80(144-40-118-84-88(144)122-103(114)126-99(84)157)205-69(58)36-194-223(179,180)211-54-14-75(139-24-46(6)94(152)132-109(139)163)200-64(54)31-190-220(173,174)209-52-12-73(137-22-44(4)92(150)130-107(137)161)198-62(52)29-188-218(169,170)207-50-10-71(135-20-42(2)90(148)128-105(135)159)197-61(50)28-187-219(171,172)208-51-11-72(136-21-43(3)91(149)129-106(136)160)199-63(51)30-189-221(175,176)210-53-13-74(138-23-45(5)93(151)131-108(138)162)201-65(53)32-191-224(181,182)214-57-17-79(143-39-117-83-87(143)121-102(113)125-98(83)156)203-67(57)34-186-217(167,168)206-49-9-77(195-59(49)26-145)141-37-115-81-85(141)119-100(111)123-96(81)154/h19-25,37-40,48-80,145-146H,8-18,26-36H2,1-7H3,(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,127,147,158)(H,128,148,159)(H,129,149,160)(H,130,150,161)(H,131,151,162)(H,132,152,163)(H,133,153,164)(H3,111,119,123,154)(H3,112,120,124,155)(H3,113,121,125,156)(H3,114,122,126,157)
- InChIKey
- WSRHSSJCVAGNPN-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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] [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]+ | 3383.5840 | 296.2 |
[M+Na]+ | 3405.5659 | 299.3 |
[M-H]- | 3381.5694 | 297.4 |
[M+NH4]+ | 3400.6105 | 297.4 |
[M+K]+ | 3421.5399 | 297.2 |
[M+H-H2O]+ | 3365.5740 | 295.5 |
[M+HCOO]- | 3427.5749 | 297.6 |
[M+CH3COO]- | 3441.5906 | 297.9 |
[M+Na-2H]- | 3403.5514 | 301.6 |
[M]+ | 3382.5762 | 297.7 |
[M]- | 3382.5772 | 297.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.