CID 16131566
5'-dtttggtttttctttgaggtt-3'
Structural Information
- Molecular Formula
- C199H255N59O133P20
- 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(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)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=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=CC(=NC1=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)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C199H255N59O133P20/c1-76-36-240(187(279)226-163(76)260)130-16-89(259)109(353-130)49-334-393(295,296)375-92-19-133(242-38-78(3)165(262)228-189(242)281)356-112(92)52-345-406(321,322)387-104-31-145(254-71-210-151-158(254)216-181(202)221-176(151)273)371-127(104)67-352-411(331,332)391-108-35-149(258-75-214-155-162(258)220-185(206)225-180(155)277)370-126(108)66-350-408(325,326)386-103-30-144(253-70-209-150-156(201)207-69-208-157(150)253)367-123(103)63-347-409(327,328)389-106-33-147(256-73-212-153-160(256)218-183(204)223-178(153)275)368-124(106)64-348-404(317,318)384-102-29-143(252-48-88(13)175(272)238-199(252)291)365-121(102)61-344-402(313,314)382-99-26-140(249-45-85(10)172(269)235-196(249)288)360-116(99)56-339-397(303,304)377-94-21-135(244-40-80(5)167(264)230-191(244)283)357-113(94)53-336-394(297,298)373-90-17-131(239-15-14-129(200)215-186(239)278)354-111(90)51-335-396(301,302)376-93-20-134(243-39-79(4)166(263)229-190(243)282)359-115(93)55-338-399(307,308)379-96-23-137(246-42-82(7)169(266)232-193(246)285)361-117(96)57-340-400(309,310)380-97-24-138(247-43-83(8)170(267)233-194(247)286)362-118(97)58-341-401(311,312)381-98-25-139(248-44-84(9)171(268)234-195(248)287)363-119(98)59-342-403(315,316)383-100-27-141(250-46-86(11)173(270)236-197(250)289)366-122(100)62-346-407(323,324)388-105-32-146(255-72-211-152-159(255)217-182(203)222-177(152)274)372-128(105)68-351-410(329,330)390-107-34-148(257-74-213-154-161(257)219-184(205)224-179(154)276)369-125(107)65-349-405(319,320)385-101-28-142(251-47-87(12)174(271)237-198(251)290)364-120(101)60-343-398(305,306)378-95-22-136(245-41-81(6)168(265)231-192(245)284)358-114(95)54-337-395(299,300)374-91-18-132(355-110(91)50-333-392(292,293)294)241-37-77(2)164(261)227-188(241)280/h14-15,36-48,69-75,89-128,130-149,259H,16-35,49-68H2,1-13H3,(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H2,200,215,278)(H2,201,207,208)(H,226,260,279)(H,227,261,280)(H,228,262,281)(H,229,263,282)(H,230,264,283)(H,231,265,284)(H,232,266,285)(H,233,267,286)(H,234,268,287)(H,235,269,288)(H,236,270,289)(H,237,271,290)(H,238,272,291)(H2,292,293,294)(H3,202,216,221,273)(H3,203,217,222,274)(H3,204,218,223,275)(H3,205,219,224,276)(H3,206,220,225,277)
- InChIKey
- XZBVKGDDATUIMC-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[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-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6218.9829 | 311.5 |
[M+Na]+ | 6240.9648 | 311.5 |
[M-H]- | 6216.9683 | 311.5 |
[M+NH4]+ | 6236.0094 | 311.5 |
[M+K]+ | 6256.9388 | 311.5 |
[M+H-H2O]+ | 6200.9729 | 311.5 |
[M+HCOO]- | 6262.9738 | 311.5 |
[M+CH3COO]- | 6276.9895 | 311.5 |
[M+Na-2H]- | 6238.9503 | 311.5 |
[M]+ | 6217.9751 | 311.5 |
[M]- | 6217.9761 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.