CID 16729331
5'-d(ggtttttgtgt)-3'-oi
Structural Information
- Molecular Formula
- C128H172N34O72P10
- SMILES
- CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1C[C@@H](O[C@@H]1COP(=O)(O)O[C@H]2C[C@@H](O[C@@H]2COP(=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]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)N1C=C(C(=O)NC1=O)C
- InChI
- InChI=1S/C128H172N34O72P10/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-98(164)224-65-25-87(152-36-58(2)107(165)145-122(152)176)214-77(65)44-203-236(185,186)232-73-33-95(160-55-134-100-104(160)138-119(130)142-115(100)173)222-85(73)52-211-241(195,196)231-72-32-93(158-42-64(8)113(171)151-128(158)182)220-83(72)50-210-244(201,202)234-75-35-97(162-57-136-102-106(162)140-121(132)144-117(102)175)223-86(75)53-212-242(197,198)230-71-31-92(157-41-63(7)112(170)150-127(157)181)218-81(71)48-208-239(191,192)228-69-29-90(155-39-61(5)110(168)148-125(155)179)216-79(69)46-206-237(187,188)226-67-27-88(153-37-59(3)108(166)146-123(153)177)215-78(67)45-205-238(189,190)227-68-28-89(154-38-60(4)109(167)147-124(154)178)217-80(68)47-207-240(193,194)229-70-30-91(156-40-62(6)111(169)149-126(156)180)219-82(70)49-209-243(199,200)233-74-34-96(161-56-135-101-105(161)139-120(131)143-116(101)174)221-84(74)51-204-235(183,184)225-66-26-94(213-76(66)43-163)159-54-133-99-103(159)137-118(129)141-114(99)172/h16-17,36-42,54-57,65-97,163H,9-15,18-35,43-53H2,1-8H3,(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,145,165,176)(H,146,166,177)(H,147,167,178)(H,148,168,179)(H,149,169,180)(H,150,170,181)(H,151,171,182)(H3,129,137,141,172)(H3,130,138,142,173)(H3,131,139,143,174)(H3,132,140,144,175)/b17-16-/t65-,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+,93+,94+,95+,96+,97+/m0/s1
- InChIKey
- KJQCSPMUJAXVPN-GQOYXIKKSA-N
- Compound name
- [(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] (Z)-octadec-9-enoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3647.8291 | 298.7 |
[M+Na]+ | 3669.8110 | 301.6 |
[M-H]- | 3645.8145 | 299.9 |
[M+NH4]+ | 3664.8556 | 299.8 |
[M+K]+ | 3685.7850 | 299.6 |
[M+H-H2O]+ | 3629.8191 | 297.9 |
[M+HCOO]- | 3691.8200 | 300.0 |
[M+CH3COO]- | 3705.8357 | 300.2 |
[M+Na-2H]- | 3667.7965 | 303.9 |
[M]+ | 3646.8213 | 300.0 |
[M]- | 3646.8223 | 300.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.