Ro6(24)[rna-mal]

Structural Information

Molecular Formula

C₂₂₈H₂₈₄N₉₁O₁₆₆P₂₃

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=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=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=C1N=C(NC2=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=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(=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/C228H284N91O166P23/c229-90-1-13-296(217(358)270-90)187-117(329)140(68(441-187)27-417-487(372,373)463-139-66(25-320)439-198(116(139)328)308-54-258-102-162(236)248-49-253-167(102)308)466-492(382,383)428-39-80-154(131(343)202(453-80)312-58-262-106-166(240)252-53-257-171(106)312)479-505(408,409)430-40-81-152(129(341)200(454-81)310-56-260-104-164(238)250-51-255-169(104)310)477-500(398,399)422-31-72-144(121(333)191(445-72)300-17-5-94(233)274-221(300)362)467-493(384,385)429-38-79-151(128(340)199(452-79)309-55-259-103-163(237)249-50-254-168(103)309)476-499(396,397)423-32-73-146(123(335)193(446-73)302-19-7-96(235)276-223(302)364)470-496(390,391)435-45-87-159(136(348)207(460-87)317-63-267-111-176(317)286-214(245)293-183(111)355)484-507(412,413)437-47-88-158(135(347)206(461-88)316-62-266-110-175(316)285-213(244)292-182(110)354)482-504(406,407)426-35-76-147(124(336)194(449-76)304-21-9-98(322)278-225(304)366)471-490(378,379)420-30-70-142(119(331)189(443-70)298-15-3-92(231)272-219(298)360)465-488(374,375)418-28-69-141(118(330)188(442-69)297-14-2-91(230)271-218(297)359)464-489(376,377)419-29-71-143(120(332)190(444-71)299-16-4-93(232)273-220(299)361)468-494(386,387)434-44-86-160(137(349)208(459-86)318-64-268-112-177(318)287-215(246)294-184(112)356)485-508(414,415)438-48-89-161(138(350)209(462-89)319-65-269-113-178(319)288-216(247)295-185(113)357)483-506(410,411)431-41-82-153(130(342)201(455-82)311-57-261-105-165(239)251-52-256-170(105)311)478-501(400,401)424-33-74-145(122(334)192(447-74)301-18-6-95(234)275-222(301)363)469-495(388,389)433-43-84-156(133(345)204(457-84)314-60-264-108-173(314)283-211(242)290-180(108)352)480-503(404,405)427-37-78-150(127(339)197(451-78)307-24-12-101(325)281-228(307)369)474-498(394,395)436-46-85-157(134(346)205(458-85)315-61-265-109-174(315)284-212(243)291-181(109)353)481-502(402,403)425-36-77-148(125(337)195(450-77)305-22-10-99(323)279-226(305)367)472-491(380,381)421-34-75-149(126(338)196(448-75)306-23-11-100(324)280-227(306)368)473-497(392,393)432-42-83-155(132(344)203(456-83)313-59-263-107-172(313)282-210(241)289-179(107)351)475-486(370,371)416-26-67-114(326)115(327)186(440-67)303-20-8-97(321)277-224(303)365/h1-24,49-89,114-161,186-209,320,326-350H,25-48H2,(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)(H,410,411)(H,412,413)(H,414,415)(H2,229,270,358)(H2,230,271,359)(H2,231,272,360)(H2,232,273,361)(H2,233,274,362)(H2,234,275,363)(H2,235,276,364)(H2,236,248,253)(H2,237,249,254)(H2,238,250,255)(H2,239,251,256)(H2,240,252,257)(H,277,321,365)(H,278,322,366)(H,279,323,367)(H,280,324,368)(H,281,325,369)(H3,241,282,289,351)(H3,242,283,290,352)(H3,243,284,291,353)(H3,244,285,292,354)(H3,245,286,293,355)(H3,246,287,294,356)(H3,247,288,295,357)

InChIKey

MFVFXEOWAPZARQ-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-[[[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)-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]-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]-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-(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 16728943