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

compound 2d structure
1
Annotation Hits

1
References

0
Patents

6659.482 Da
Monoisotopic Mass

-28.2
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.