CID 16130776
G g c a t t g a g c g g g t t g a t c c (2'-o-methyl)
Structural Information
- Molecular Formula
- C216H287N77O143P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=C(C(=O)NC4=O)C)COP(=O)(O)OC5C(OC(C5OC)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=NC1=C9N=C(NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=C(C(=O)NC1=O)C)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=C(C(=O)NC1=O)C)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)OC)O)OC
- InChI
- InChI=1S/C216H287N77O143P20/c1-73-34-278(212(312)269-167(73)295)184-137(362-10)118(422-442(328,329)380-41-80-115(134(359-7)181(399-80)275-31-27-99(218)250-209(275)309)419-438(320,321)379-39-78-113(294)133(358-6)180(398-78)274-30-26-98(217)249-208(274)308)85(404-184)46-385-450(344,345)428-124-89(409-190(143(124)368-16)284-63-239-103-154(222)233-60-236-157(103)284)50-389-453(350,351)433-130-93(413-197(150(130)375-23)291-70-246-110-164(291)258-205(229)266-177(110)305)54-393-445(334,335)426-122-84(403-188(141(122)366-14)282-38-77(5)171(299)273-216(282)316)45-384-444(332,333)424-120-87(406-186(139(120)364-12)280-36-75(3)169(297)271-214(280)314)48-387-451(346,347)432-128-96(416-195(148(128)373-21)289-68-244-108-162(289)256-203(227)264-175(108)303)57-396-456(356,357)436-132-97(417-199(152(132)377-25)293-72-248-112-166(293)260-207(231)268-179(112)307)58-397-455(354,355)435-129-92(412-196(149(129)374-22)290-69-245-109-163(290)257-204(228)265-176(109)304)53-392-441(326,327)421-117-82(401-183(136(117)361-9)277-33-29-101(220)252-211(277)311)43-382-448(340,341)431-127-95(415-194(147(127)372-20)288-67-243-107-161(288)255-202(226)263-174(107)302)56-395-452(348,349)429-125-90(410-191(144(125)369-17)285-64-240-104-155(223)234-61-237-158(104)285)51-390-454(352,353)434-131-94(414-198(151(131)376-24)292-71-247-111-165(292)259-206(230)267-178(111)306)55-394-446(336,337)425-121-83(402-187(140(121)365-13)281-37-76(4)170(298)272-215(281)315)44-383-443(330,331)423-119-86(405-185(138(119)363-11)279-35-74(2)168(296)270-213(279)313)47-386-449(342,343)427-123-88(408-189(142(123)367-15)283-62-238-102-153(221)232-59-235-156(102)283)49-388-440(324,325)420-116-81(400-182(135(116)360-8)276-32-28-100(219)251-210(276)310)42-381-447(338,339)430-126-91(411-193(146(126)371-19)287-66-242-106-160(287)254-201(225)262-173(106)301)52-391-439(322,323)418-114-79(40-378-437(317,318)319)407-192(145(114)370-18)286-65-241-105-159(286)253-200(224)261-172(105)300/h26-38,59-72,78-97,113-152,180-199,294H,39-58H2,1-25H3,(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H,346,347)(H,348,349)(H,350,351)(H,352,353)(H,354,355)(H,356,357)(H2,217,249,308)(H2,218,250,309)(H2,219,251,310)(H2,220,252,311)(H2,221,232,235)(H2,222,233,236)(H2,223,234,237)(H,269,295,312)(H,270,296,313)(H,271,297,314)(H,272,298,315)(H,273,299,316)(H2,317,318,319)(H3,224,253,261,300)(H3,225,254,262,301)(H3,226,255,263,302)(H3,227,256,264,303)(H3,228,257,265,304)(H3,229,258,266,305)(H3,230,259,267,306)(H3,231,260,268,307)
- InChIKey
- AWGMLALAOCETEW-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(2-amino-6-oxo-1H-purin-9-yl)-4-methoxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl] [3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6867.2378 | 311.5 |
[M+Na]+ | 6889.2197 | 311.5 |
[M-H]- | 6865.2232 | 311.5 |
[M+NH4]+ | 6884.2643 | 311.5 |
[M+K]+ | 6905.1937 | 311.5 |
[M+H-H2O]+ | 6849.2278 | 311.5 |
[M+HCOO]- | 6911.2287 | 311.5 |
[M+CH3COO]- | 6925.2444 | 311.5 |
[M+Na-2H]- | 6887.2052 | 311.5 |
[M]+ | 6866.2300 | 311.5 |
[M]- | 6866.2310 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.