Gacaataattgtctggcc

Structural Information

Molecular Formula

C₁₇₆H₂₂₃N₆₇O₁₀₉P₁₈

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)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C176H223N67O109P18/c1-69-32-230(172(258)221-155(69)245)118-18-78(339-357(272,273)302-40-95-76(16-116(320-95)228-12-8-112(179)211-170(228)256)337-355(268,269)305-42-97-80(20-120(322-97)232-34-71(3)157(247)223-174(232)260)342-360(278,279)316-53-108-91(31-131(334-108)243-68-208-140-154(243)216-167(189)220-163(140)253)352-370(298,299)317-54-109-89(29-129(335-109)241-66-206-138-152(241)214-165(187)218-161(138)251)350-364(286,287)304-39-94-75(15-115(319-94)227-11-7-111(178)210-169(227)255)336-354(266,267)301-37-92-74(244)14-114(318-92)226-10-6-110(177)209-168(226)254)101(326-118)46-309-367(292,293)351-90-30-130(242-67-207-139-153(242)215-166(188)219-162(139)252)333-107(90)52-315-361(280,281)343-81-21-121(233-35-72(4)158(248)224-175(233)261)323-98(81)43-306-358(274,275)340-79-19-119(231-33-70(2)156(246)222-173(231)259)324-99(79)44-307-365(288,289)346-85-24-124(236-61-201-133-142(182)191-56-196-147(133)236)332-106(85)51-314-369(296,297)349-88-27-127(239-64-204-136-145(185)194-59-199-150(136)239)329-103(88)48-311-359(276,277)341-82-22-122(234-36-73(5)159(249)225-176(234)262)325-100(82)45-308-366(290,291)347-86-25-125(237-62-202-134-143(183)192-57-197-148(134)237)331-105(86)50-313-368(294,295)348-87-26-126(238-63-203-135-144(184)193-58-198-149(135)238)328-102(87)47-310-356(270,271)338-77-17-117(229-13-9-113(180)212-171(229)257)321-96(77)41-303-363(284,285)345-84-23-123(235-60-200-132-141(181)190-55-195-146(132)235)330-104(84)49-312-362(282,283)344-83-28-128(327-93(83)38-300-353(263,264)265)240-65-205-137-151(240)213-164(186)217-160(137)250/h6-13,32-36,55-68,74-109,114-131,244H,14-31,37-54H2,1-5H3,(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H2,177,209,254)(H2,178,210,255)(H2,179,211,256)(H2,180,212,257)(H2,181,190,195)(H2,182,191,196)(H2,183,192,197)(H2,184,193,198)(H2,185,194,199)(H,221,245,258)(H,222,246,259)(H,223,247,260)(H,224,248,261)(H,225,249,262)(H2,263,264,265)(H3,186,213,217,250)(H3,187,214,218,251)(H3,188,215,219,252)(H3,189,216,220,253)

InChIKey

IVHZLSNAQOPWMR-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197295