Accgtcagcgtcaatgac

Structural Information

Molecular Formula

C₁₇₄H₂₂₁N₆₉O₁₀₇P₁₈

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)O)N7C=NC8=C(N=CN=C87)N)N9C=CC(=NC9=O)N)N1C=CC(=NC1=O)N)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=NC2=C(N=CN=C21)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=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C174H221N69O107P18/c1-69-34-232(172(258)223-155(69)245)120-22-78(98(323-120)45-306-364(288,289)348-87-31-129(241-66-206-138-152(241)216-163(187)220-159(138)249)330-104(87)51-312-356(272,273)337-74-18-116(228-12-6-110(177)211-168(228)254)317-92(74)39-300-353(266,267)334-73-17-115(227-11-5-109(176)210-167(227)253)320-95(73)42-303-361(282,283)342-81-25-123(325-91(81)38-298-351(261,262)263)235-60-200-132-141(181)190-55-195-146(132)235)340-359(278,279)302-41-94-76(20-118(319-94)230-14-8-112(179)213-170(230)256)336-355(270,271)309-49-102-85(29-127(328-102)239-64-204-136-145(185)194-59-199-150(136)239)346-367(294,295)315-54-107-86(30-128(333-107)240-65-205-137-151(240)215-162(186)219-158(137)248)347-362(284,285)304-43-96-77(21-119(321-96)231-15-9-113(180)214-171(231)257)338-357(274,275)313-52-105-88(32-130(331-105)242-67-207-139-153(242)217-164(188)221-160(139)250)349-365(290,291)307-46-99-79(23-121(324-99)233-35-70(2)156(246)224-173(233)259)339-358(276,277)301-40-93-75(19-117(318-93)229-13-7-111(178)212-169(229)255)335-354(268,269)308-48-101-84(28-126(327-101)238-63-203-135-144(184)193-58-198-149(135)238)345-366(292,293)310-50-103-83(27-125(329-103)237-62-202-134-143(183)192-57-197-148(134)237)344-363(286,287)305-44-97-80(24-122(322-97)234-36-71(3)157(247)225-174(234)260)341-360(280,281)314-53-106-89(33-131(332-106)243-68-208-140-154(243)218-165(189)222-161(140)251)350-368(296,297)311-47-100-82(26-124(326-100)236-61-201-133-142(182)191-56-196-147(133)236)343-352(264,265)299-37-90-72(244)16-114(316-90)226-10-4-108(175)209-166(226)252/h4-15,34-36,55-68,72-107,114-131,244H,16-33,37-54H2,1-3H3,(H,264,265)(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)(H2,175,209,252)(H2,176,210,253)(H2,177,211,254)(H2,178,212,255)(H2,179,213,256)(H2,180,214,257)(H2,181,190,195)(H2,182,191,196)(H2,183,192,197)(H2,184,193,198)(H2,185,194,199)(H,223,245,258)(H,224,246,259)(H,225,247,260)(H2,261,262,263)(H3,186,215,219,248)(H3,187,216,220,249)(H3,188,217,221,250)(H3,189,218,222,251)

InChIKey

NVCWUZOVTDWOIN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197292