CID 16130785
G a t t c g t g c t c a t g g t g c a c (2'-o-methyl)
Structural Information
- Molecular Formula
- C215H288N72O144P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5OC)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(O)OC8C(OC(C8OC)N9C=C(C(=O)NC9=O)C)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=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=NC2=C1N=C(NC2=O)N)COP(=O)(O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)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=NC2=C1N=C(NC2=O)N)OC)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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=CC(=NC1=O)N)OC)O)OC
- InChI
- InChI=1S/C215H288N72O144P20/c1-75-37-273(210(306)262-167(75)289)184-140(358-12)121(87(398-184)49-379-435(319,320)414-117-85(396-180(136(117)354-8)269-33-28-102(217)246-206(269)302)47-377-445(339,340)427-130-97(409-194(150(130)368-22)283-70-240-110-162(283)251-200(225)257-174(110)296)59-389-442(333,334)422-125-91(402-188(144(125)362-16)277-41-79(5)171(293)266-214(277)310)53-383-449(347,348)429-132-96(408-196(152(132)370-24)285-72-242-112-164(285)253-202(227)259-176(112)298)58-388-438(325,326)417-119-84(395-182(138(119)356-10)271-35-30-104(219)248-208(271)304)46-376-440(329,330)419-122-88(399-185(141(122)359-13)274-38-76(2)168(290)263-211(274)307)50-380-441(331,332)420-123-89(400-186(142(123)360-14)275-39-77(3)169(291)264-212(275)308)51-381-447(343,344)425-128-94(406-191(147(128)365-19)280-67-237-107-156(222)231-64-234-159(107)280)56-385-434(317,318)413-116-82(44-373-432(312,313)314)404-193(149(116)367-21)282-69-239-109-161(282)250-199(224)256-173(109)295)418-439(327,328)375-45-83-118(137(355-9)181(394-83)270-34-29-103(218)247-207(270)303)415-437(323,324)387-57-95-129(148(366-20)192(407-95)281-68-238-108-157(223)232-65-235-160(108)281)426-448(345,346)382-52-90-124(143(361-15)187(401-90)276-40-78(4)170(292)265-213(276)309)421-444(337,338)391-61-99-134(154(372-26)198(411-99)287-74-244-114-166(287)255-204(229)261-178(114)300)431-451(351,352)392-62-100-133(153(371-25)197(412-100)286-73-243-113-165(286)254-203(228)260-177(113)299)430-450(349,350)384-54-92-126(145(363-17)189(403-92)278-42-80(6)172(294)267-215(278)311)423-443(335,336)390-60-98-131(151(369-23)195(410-98)284-71-241-111-163(284)252-201(226)258-175(111)297)428-446(341,342)378-48-86-120(139(357-11)183(397-86)272-36-31-105(220)249-209(272)305)416-436(321,322)386-55-93-127(146(364-18)190(405-93)279-66-236-106-155(221)230-63-233-158(106)279)424-433(315,316)374-43-81-115(288)135(353-7)179(393-81)268-32-27-101(216)245-205(268)301/h27-42,63-74,81-100,115-154,179-198,288H,43-62H2,1-26H3,(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)(H2,216,245,301)(H2,217,246,302)(H2,218,247,303)(H2,219,248,304)(H2,220,249,305)(H2,221,230,233)(H2,222,231,234)(H2,223,232,235)(H,262,289,306)(H,263,290,307)(H,264,291,308)(H,265,292,309)(H,266,293,310)(H,267,294,311)(H2,312,313,314)(H3,224,250,256,295)(H3,225,251,257,296)(H3,226,252,258,297)(H3,227,253,259,298)(H3,228,254,260,299)(H3,229,255,261,300)
- InChIKey
- FOLXSDUVJOZFLR-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[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)-4-methoxy-2-(phosphonooxymethyl)oxolan-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]-5-(4-amino-2-oxopyrimidin-1-yl)-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-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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-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-methoxyoxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-methoxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6802.2253 | 311.5 |
[M+Na]+ | 6824.2072 | 311.5 |
[M-H]- | 6800.2107 | 311.5 |
[M+NH4]+ | 6819.2518 | 311.5 |
[M+K]+ | 6840.1812 | 311.5 |
[M+H-H2O]+ | 6784.2153 | 311.5 |
[M+HCOO]- | 6846.2162 | 311.5 |
[M+CH3COO]- | 6860.2319 | 311.5 |
[M+Na-2H]- | 6822.1927 | 311.5 |
[M]+ | 6801.2175 | 311.5 |
[M]- | 6801.2185 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.