Ro6(24)[rna-cu]

Structural Information

Molecular Formula

C₂₂₆H₂₈₃N₈₆O₁₆₇P₂₃

SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=NC5=C(N=CN=C54)N)CO)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C(N=CN=C87)N)O)OP(=O)(O)OCC9C(C(C(O9)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=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=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)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=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)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)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O

InChI

InChI=1S/C226H283N86O167P23/c227-92-1-15-289(213(350)265-92)185-119(323)142(70(435-185)31-411-481(366,367)457-141-68(29-313)433-198(118(141)322)303-58-255-106-164(235)245-53-250-169(106)303)461-488(380,381)424-45-84-157(134(338)201(449-84)306-61-258-109-167(238)248-56-253-172(109)306)474-501(406,407)427-47-86-156(133(337)200(451-86)305-60-257-108-166(237)247-55-252-171(108)305)473-496(396,397)418-36-75-148(125(329)191(440-75)295-21-7-98(233)271-219(295)356)463-490(384,385)425-44-83-155(132(336)199(448-83)304-59-256-107-165(236)246-54-251-170(107)304)472-495(394,395)419-37-76-149(126(330)192(441-76)296-22-8-99(234)272-220(296)357)465-492(388,389)430-49-88-160(137(341)204(453-88)309-64-261-112-175(309)280-209(241)285-180(112)346)476-497(398,399)420-38-77-145(122(326)188(442-77)292-18-4-95(230)268-216(292)353)460-484(372,373)416-39-78-150(127(331)193(443-78)298-24-10-101(315)274-222(298)359)466-485(374,375)414-34-72-144(121(325)187(437-72)291-17-3-94(229)267-215(291)352)459-482(368,369)412-32-71-143(120(324)186(436-71)290-16-2-93(228)266-214(290)351)458-483(370,371)413-33-73-146(123(327)189(438-73)293-19-5-96(231)269-217(293)354)462-489(382,383)426-46-85-158(135(339)202(450-85)307-62-259-110-168(239)249-57-254-173(110)307)475-502(408,409)432-52-91-163(140(344)207(456-91)312-67-264-115-178(312)283-212(244)288-183(115)349)479-500(404,405)422-41-80-151(128(332)194(445-80)299-25-11-102(316)275-223(299)360)467-486(376,377)415-35-74-147(124(328)190(439-74)294-20-6-97(232)270-218(294)355)464-491(386,387)429-50-89-161(138(342)205(454-89)310-65-262-113-176(310)281-210(242)286-181(113)347)477-499(402,403)423-43-82-154(131(335)197(447-82)302-28-14-105(319)278-226(302)363)470-494(392,393)431-51-90-162(139(343)206(455-90)311-66-263-114-177(311)282-211(243)287-182(114)348)478-498(400,401)421-42-81-152(129(333)195(446-81)300-26-12-103(317)276-224(300)361)468-487(378,379)417-40-79-153(130(334)196(444-79)301-27-13-104(318)277-225(301)362)469-493(390,391)428-48-87-159(136(340)203(452-87)308-63-260-111-174(308)279-208(240)284-179(111)345)471-480(364,365)410-30-69-116(320)117(321)184(434-69)297-23-9-100(314)273-221(297)358/h1-28,53-91,116-163,184-207,313,320-344H,29-52H2,(H,364,365)(H,366,367)(H,368,369)(H,370,371)(H,372,373)(H,374,375)(H,376,377)(H,378,379)(H,380,381)(H,382,383)(H,384,385)(H,386,387)(H,388,389)(H,390,391)(H,392,393)(H,394,395)(H,396,397)(H,398,399)(H,400,401)(H,402,403)(H,404,405)(H,406,407)(H,408,409)(H2,227,265,350)(H2,228,266,351)(H2,229,267,352)(H2,230,268,353)(H2,231,269,354)(H2,232,270,355)(H2,233,271,356)(H2,234,272,357)(H2,235,245,250)(H2,236,246,251)(H2,237,247,252)(H2,238,248,253)(H2,239,249,254)(H,273,314,358)(H,274,315,359)(H,275,316,360)(H,276,317,361)(H,277,318,362)(H,278,319,363)(H3,240,279,284,345)(H3,241,280,285,346)(H3,242,281,286,347)(H3,243,282,287,348)(H3,244,283,288,349)

InChIKey

CQLFOWFTFBDKSJ-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-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[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-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-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-(6-aminopurin-9-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]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-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-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-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]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-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-(2,4-dioxopyrimidin-1-yl)-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] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

Related CIDs

• CID 16728944