Tgaggcttatgcagtgggtt

Structural Information

Molecular Formula

C₁₉₈H₂₄₉N₇₅O₁₂₅P₂₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C198H249N75O125P20/c1-73-32-256(192(292)247-167(73)275)122-12-80(274)100(360-122)39-341-400(302,303)383-84-16-126(258-34-75(3)169(277)249-194(258)294)364-104(84)43-347-411(324,325)393-95-27-137(269-68-224-148-162(269)234-185(207)242-177(148)285)378-118(95)57-358-418(338,339)398-99-31-141(273-72-228-152-166(273)238-189(211)246-181(152)289)379-119(99)58-359-416(334,335)396-97-29-139(271-70-226-150-164(271)236-187(209)244-179(150)287)374-114(97)53-354-407(316,317)387-88-20-130(262-38-79(7)173(281)253-198(262)298)368-108(88)47-348-412(326,327)394-94-26-136(268-67-223-147-161(268)233-184(206)241-176(147)284)375-115(94)54-355-413(328,329)389-90-22-132(264-63-219-143-154(202)213-60-216-157(143)264)369-109(90)48-349-402(306,307)381-82-14-124(255-11-9-121(200)230-191(255)291)362-103(82)42-343-408(318,319)391-92-24-134(266-65-221-145-159(266)231-182(204)239-174(145)282)373-113(92)52-353-406(314,315)386-87-19-129(261-37-78(6)172(280)252-197(261)297)367-107(87)46-346-410(322,323)388-89-21-131(263-62-218-142-153(201)212-59-215-156(142)263)370-110(89)49-350-405(312,313)385-86-18-128(260-36-77(5)171(279)251-196(260)296)366-106(86)45-345-404(310,311)384-85-17-127(259-35-76(4)170(278)250-195(259)295)365-105(85)44-344-401(304,305)380-81-13-123(254-10-8-120(199)229-190(254)290)361-102(81)41-342-409(320,321)392-93-25-135(267-66-222-146-160(267)232-183(205)240-175(146)283)377-117(93)56-357-417(336,337)397-98-30-140(272-71-227-151-165(272)237-188(210)245-180(151)288)376-116(98)55-356-414(330,331)390-91-23-133(265-64-220-144-155(203)214-61-217-158(144)265)371-111(91)50-351-415(332,333)395-96-28-138(270-69-225-149-163(270)235-186(208)243-178(149)286)372-112(96)51-352-403(308,309)382-83-15-125(363-101(83)40-340-399(299,300)301)257-33-74(2)168(276)248-193(257)293/h8-11,32-38,59-72,80-119,122-141,274H,12-31,39-58H2,1-7H3,(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(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)(H2,199,229,290)(H2,200,230,291)(H2,201,212,215)(H2,202,213,216)(H2,203,214,217)(H,247,275,292)(H,248,276,293)(H,249,277,294)(H,250,278,295)(H,251,279,296)(H,252,280,297)(H,253,281,298)(H2,299,300,301)(H3,204,231,239,282)(H3,205,232,240,283)(H3,206,233,241,284)(H3,207,234,242,285)(H3,208,235,243,286)(H3,209,236,244,287)(H3,210,237,245,288)(H3,211,238,246,289)

InChIKey

PXISRQHOMJERHB-UHFFFAOYSA-N

Compound name

[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16197341