CID 16134056
5'-r(uauggcaggaagaagcgga)-3'
Structural Information
- Molecular Formula
- C186H227N85O126P18
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)OC6C(OC(C6O)N7C=NC8=C(N=CN=C87)N)COP(=O)(O)OC9C(OC(C9O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)CO)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)O)O
- InChI
- InChI=1S/C186H227N85O126P18/c187-69-1-5-253(183(303)233-69)158-91(278)109(52(363-158)11-345-405(321,322)392-120-67(378-169(102(120)289)266-44-227-82-142(266)239-177(198)247-150(82)297)26-359-414(339,340)396-122-63(374-171(104(122)291)268-46-229-84-144(268)241-179(200)249-152(84)299)22-354-402(315,316)383-111-54(365-160(93(111)280)256-8-4-72(274)236-186(256)306)13-347-403(317,318)385-112-55(366-161(94(112)281)258-36-219-74-127(190)205-29-212-134(74)258)14-344-399(309,310)380-108-50(9-272)361-157(90(108)277)255-7-3-71(273)235-185(255)305)381-400(311,312)348-15-56-113(95(282)162(367-56)259-37-220-75-128(191)206-30-213-135(75)259)388-408(327,328)357-25-66-125(107(294)174(377-66)271-49-232-87-147(271)244-182(203)252-155(87)302)397-415(341,342)360-27-68-124(106(293)173(379-68)270-48-231-86-146(270)243-181(202)251-154(86)301)394-412(335,336)352-19-60-115(97(284)164(371-60)261-39-222-77-130(193)208-32-215-137(77)261)387-407(325,326)350-17-58-117(99(286)166(369-58)263-41-224-79-132(195)210-34-217-139(79)263)390-410(331,332)356-24-65-123(105(292)172(376-65)269-47-230-85-145(269)242-180(201)250-153(85)300)393-411(333,334)351-18-59-114(96(283)163(370-59)260-38-221-76-129(192)207-31-214-136(76)260)386-406(323,324)349-16-57-116(98(285)165(368-57)262-40-223-78-131(194)209-33-216-138(78)262)389-409(329,330)355-23-64-119(101(288)168(375-64)265-43-226-81-141(265)238-176(197)246-149(81)296)391-404(319,320)346-12-53-110(92(279)159(364-53)254-6-2-70(188)234-184(254)304)382-401(313,314)353-21-62-121(103(290)170(373-62)267-45-228-83-143(267)240-178(199)248-151(83)298)395-413(337,338)358-20-61-118(100(287)167(372-61)264-42-225-80-140(264)237-175(196)245-148(80)295)384-398(307,308)343-10-51-88(275)89(276)156(362-51)257-35-218-73-126(189)204-28-211-133(73)257/h1-8,28-68,88-125,156-174,272,275-294H,9-27H2,(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)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H2,187,233,303)(H2,188,234,304)(H2,189,204,211)(H2,190,205,212)(H2,191,206,213)(H2,192,207,214)(H2,193,208,215)(H2,194,209,216)(H2,195,210,217)(H,235,273,305)(H,236,274,306)(H3,196,237,245,295)(H3,197,238,246,296)(H3,198,239,247,297)(H3,199,240,248,298)(H3,200,241,249,299)(H3,201,242,250,300)(H3,202,243,251,301)(H3,203,244,252,302)
- InChIKey
- NHQZKIPIAZDTEZ-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl [5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6224.9316 | 311.5 |
[M+Na]+ | 6246.9135 | 311.5 |
[M-H]- | 6222.9170 | 311.5 |
[M+NH4]+ | 6241.9581 | 311.5 |
[M+K]+ | 6262.8875 | 311.5 |
[M+H-H2O]+ | 6206.9216 | 311.5 |
[M+HCOO]- | 6268.9225 | 311.5 |
[M+CH3COO]- | 6282.9382 | 311.5 |
[M+Na-2H]- | 6244.8990 | 311.5 |
[M]+ | 6223.9238 | 311.5 |
[M]- | 6223.9248 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.