CID 16130137
5'cga uac gau acg aua cga uu-3' mismatched control oligoribonucleotide
Structural Information
- Molecular Formula
- C191H236N77O136P19
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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)OP(=O)(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/C191H236N77O136P19/c192-77-1-10-249(183(300)232-77)160-99(277)118(57(19-269)366-160)386-406(311,312)348-35-73-133(114(292)175(382-73)265-53-228-93-151(265)241-179(203)245-155(93)296)401-420(339,340)359-31-69-130(111(289)172(378-69)262-50-225-90-141(200)211-43-218-148(90)262)398-417(333,334)353-25-63-123(104(282)165(372-63)255-16-7-83(272)238-189(255)306)391-407(313,314)356-28-66-126(107(285)168(375-66)258-46-221-86-137(196)207-39-214-144(86)258)394-414(327,328)350-22-60-120(101(279)162(369-60)251-12-3-79(194)234-185(251)302)389-411(321,322)364-37-75-135(116(294)177(384-75)267-55-230-95-153(267)243-181(205)247-157(95)298)403-422(343,344)361-33-71-132(113(291)174(380-71)264-52-227-92-143(202)213-45-220-150(92)264)400-419(337,338)355-27-65-125(106(284)167(374-65)257-18-9-85(274)240-191(257)308)393-409(317,318)358-30-68-128(109(287)170(377-68)260-48-223-88-139(198)209-41-216-146(88)260)396-415(329,330)351-23-61-121(102(280)163(370-61)252-13-4-80(195)235-186(252)303)390-412(323,324)365-38-76-136(117(295)178(385-76)268-56-231-96-154(268)244-182(206)248-158(96)299)404-423(345,346)362-34-72-131(112(290)173(381-72)263-51-226-91-142(201)212-44-219-149(91)263)399-418(335,336)354-26-64-124(105(283)166(373-64)256-17-8-84(273)239-190(256)307)392-408(315,316)357-29-67-127(108(286)169(376-67)259-47-222-87-138(197)208-40-215-145(87)259)395-413(325,326)349-21-59-119(100(278)161(368-59)250-11-2-78(193)233-184(250)301)388-410(319,320)363-36-74-134(115(293)176(383-74)266-54-229-94-152(266)242-180(204)246-156(94)297)402-421(341,342)360-32-70-129(110(288)171(379-70)261-49-224-89-140(199)210-42-217-147(89)261)397-416(331,332)352-24-62-122(103(281)164(371-62)254-15-6-82(271)237-188(254)305)387-405(309,310)347-20-58-97(275)98(276)159(367-58)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,311,312)(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)(H,343,344)(H,345,346)(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
- UVDHOGGTDJOKKN-UHFFFAOYSA-N
- Compound name
- [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-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[[5-(2,4-dioxopyrimidin-1-yl)-3-[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6372.9003 | 311.5 |
[M+Na]+ | 6394.8822 | 311.5 |
[M-H]- | 6370.8857 | 311.5 |
[M+NH4]+ | 6389.9268 | 311.5 |
[M+K]+ | 6410.8562 | 311.5 |
[M+H-H2O]+ | 6354.8903 | 311.5 |
[M+HCOO]- | 6416.8912 | 311.5 |
[M+CH3COO]- | 6430.9069 | 311.5 |
[M+Na-2H]- | 6392.8677 | 311.5 |
[M]+ | 6371.8925 | 311.5 |
[M]- | 6371.8935 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.