CID 16134055
5'-r(ucccuuccugauacuagaa)-dt-dt-3'
Structural Information
- Molecular Formula
- C198H249N69O146P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OC7C(OC(C7O)N8C=NC9=C(N=CN=C98)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(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)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=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)CO)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C198H249N69O146P20/c1-64-29-259(197(311)245-160(64)295)101-27-66(269)69(373-101)32-353-414(313,314)394-67-28-102(260-30-65(2)161(296)246-198(260)312)374-70(67)33-354-415(315,316)407-141-82(387-176(122(141)288)261-57-222-103-148(205)212-52-217-153(103)261)45-368-430(345,346)410-145-86(391-180(126(145)292)265-61-226-107-152(209)216-56-221-157(107)265)49-370-433(351,352)413-147-88(393-182(128(147)294)267-63-228-109-159(267)242-184(211)244-163(109)298)51-372-431(347,348)411-144-84(389-179(125(144)291)264-60-225-106-151(208)215-55-220-156(106)264)47-367-425(335,336)404-138-79(384-173(119(138)285)256-24-12-98(273)238-194(256)308)41-361-422(329,330)401-135-76(381-170(116(135)282)252-20-8-94(204)234-190(252)304)39-364-428(341,342)408-142-83(388-177(123(142)289)262-58-223-104-149(206)213-53-218-154(104)262)46-366-426(337,338)405-140-81(386-175(121(140)287)258-26-14-100(275)240-196(258)310)44-365-429(343,344)409-143-85(390-178(124(143)290)263-59-224-105-150(207)214-54-219-155(105)263)48-369-432(349,350)412-146-87(392-181(127(146)293)266-62-227-108-158(266)241-183(210)243-162(108)297)50-371-427(339,340)406-139-80(385-174(120(139)286)257-25-13-99(274)239-195(257)309)42-362-421(327,328)400-134-74(379-169(115(134)281)251-19-7-93(203)233-189(251)303)37-358-419(323,324)398-132-75(380-167(113(132)279)249-17-5-91(201)231-187(249)301)38-359-423(331,332)402-136-78(383-171(117(136)283)254-22-10-96(271)236-192(254)306)43-363-424(333,334)403-137-77(382-172(118(137)284)255-23-11-97(272)237-193(255)307)40-360-420(325,326)399-133-73(378-168(114(133)280)250-18-6-92(202)232-188(250)302)36-357-418(321,322)397-131-72(377-166(112(131)278)248-16-4-90(200)230-186(248)300)35-356-417(319,320)396-130-71(376-165(111(130)277)247-15-3-89(199)229-185(247)299)34-355-416(317,318)395-129-68(31-268)375-164(110(129)276)253-21-9-95(270)235-191(253)305/h3-26,29-30,52-63,66-88,101-102,110-147,164-182,268-269,276-294H,27-28,31-51H2,1-2H3,(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)(H,347,348)(H,349,350)(H,351,352)(H2,199,229,299)(H2,200,230,300)(H2,201,231,301)(H2,202,232,302)(H2,203,233,303)(H2,204,234,304)(H2,205,212,217)(H2,206,213,218)(H2,207,214,219)(H2,208,215,220)(H2,209,216,221)(H,235,270,305)(H,236,271,306)(H,237,272,307)(H,238,273,308)(H,239,274,309)(H,240,275,310)(H,245,295,311)(H,246,296,312)(H3,210,241,243,297)(H3,211,242,244,298)
- InChIKey
- YYXZOKDFKXCLDC-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-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]-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]-4-hydroxyoxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-4-hydroxy-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]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]+ | 6548.9009 | 311.5 |
[M+Na]+ | 6570.8828 | 311.5 |
[M-H]- | 6546.8863 | 311.5 |
[M+NH4]+ | 6565.9274 | 311.5 |
[M+K]+ | 6586.8568 | 311.5 |
[M+H-H2O]+ | 6530.8909 | 311.5 |
[M+HCOO]- | 6592.8918 | 311.5 |
[M+CH3COO]- | 6606.9075 | 311.5 |
[M+Na-2H]- | 6568.8683 | 311.5 |
[M]+ | 6547.8931 | 311.5 |
[M]- | 6547.8941 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.