CID 16130138
Cga uac gau acg aua cga uu mismatched control oligoribonucleotide
Structural Information
- Molecular Formula
- C191H236N77O118P19S18
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=S)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)OP(=S)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)OP(=S)(O)OCC9C(C(C(O9)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O
- InChI
- InChI=1S/C191H236N77O118P19S18/c192-77-1-10-249(183(300)232-77)160-99(277)118(57(19-269)348-160)369-388(311,406)331-35-73-133(114(292)175(364-73)265-53-228-93-151(265)241-179(203)245-155(93)296)383-402(325,420)342-32-70-130(111(289)172(361-70)262-50-225-90-141(200)211-43-218-148(90)262)380-399(322,417)335-25-63-123(104(282)165(354-63)255-16-7-83(272)238-189(255)306)373-390(313,408)338-28-66-127(108(286)169(357-66)259-47-222-87-138(197)208-40-215-145(87)259)378-397(320,415)333-23-61-121(102(280)163(352-61)251-12-3-79(194)234-185(251)302)371-394(317,412)346-37-75-135(116(294)177(366-75)267-55-230-95-153(267)243-181(205)247-157(95)298)385-404(327,422)344-34-72-132(113(291)174(363-72)264-52-227-92-143(202)213-45-220-150(92)264)382-401(324,419)337-27-65-125(106(284)167(356-65)257-18-9-85(274)240-191(257)308)375-392(315,410)340-30-68-129(110(288)171(359-68)261-49-224-89-140(199)210-42-217-147(89)261)379-398(321,416)334-24-62-122(103(281)164(353-62)252-13-4-80(195)235-186(252)303)372-395(318,413)347-38-76-136(117(295)178(367-76)268-56-231-96-154(268)244-182(206)248-158(96)299)386-405(328,423)343-33-71-131(112(290)173(362-71)263-51-226-91-142(201)212-44-219-149(91)263)381-400(323,418)336-26-64-124(105(283)166(355-64)256-17-8-84(273)239-190(256)307)374-391(314,409)339-29-67-128(109(287)170(358-67)260-48-223-88-139(198)209-41-216-146(88)260)377-396(319,414)332-22-60-120(101(279)162(351-60)250-11-2-78(193)233-184(250)301)370-393(316,411)345-36-74-134(115(293)176(365-74)266-54-229-94-152(266)242-180(204)246-156(94)297)384-403(326,421)341-31-69-126(107(285)168(360-69)258-46-221-86-137(196)207-39-214-144(86)258)376-389(312,407)330-21-59-119(100(278)161(350-59)254-15-6-82(271)237-188(254)305)368-387(309,310)329-20-58-97(275)98(276)159(349-58)253-14-5-81(270)236-187(253)304/h1-18,39-76,97-136,159-178,269,275-295H,19-38H2,(H,309,310)(H,311,406)(H,312,407)(H,313,408)(H,314,409)(H,315,410)(H,316,411)(H,317,412)(H,318,413)(H,319,414)(H,320,415)(H,321,416)(H,322,417)(H,323,418)(H,324,419)(H,325,420)(H,326,421)(H,327,422)(H,328,423)(H2,192,232,300)(H2,193,233,301)(H2,194,234,302)(H2,195,235,303)(H2,196,207,214)(H2,197,208,215)(H2,198,209,216)(H2,199,210,217)(H2,200,211,218)(H2,201,212,219)(H2,202,213,220)(H,236,270,304)(H,237,271,305)(H,238,272,306)(H,239,273,307)(H,240,274,308)(H3,203,241,245,296)(H3,204,242,246,297)(H3,205,243,247,298)(H3,206,244,248,299)
- InChIKey
- JQQPFFYMQKNNLR-UHFFFAOYSA-N
- Compound name
- [2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6660.4893 | 311.5 |
[M+Na]+ | 6682.4712 | 311.5 |
[M-H]- | 6658.4747 | 311.5 |
[M+NH4]+ | 6677.5158 | 311.5 |
[M+K]+ | 6698.4452 | 311.5 |
[M+H-H2O]+ | 6642.4793 | 311.5 |
[M+HCOO]- | 6704.4802 | 311.5 |
[M+CH3COO]- | 6718.4959 | 311.5 |
[M+Na-2H]- | 6680.4567 | 311.5 |
[M]+ | 6659.4815 | 311.5 |
[M]- | 6659.4825 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.