Gacactgcgcccatagtg

Structural Information

Molecular Formula

C₁₇₄H₂₂₁N₆₉O₁₀₈P₁₈

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

InChI

InChI=1S/C174H221N69O108P18/c1-68-34-232(172(259)223-153(68)245)120-23-78(341-353(265,266)300-37-89-71(244)16-113(317-89)239-63-202-135-148(239)213-161(185)218-156(135)248)97(324-120)45-309-368(295,296)351-88-33-130(243-67-206-139-152(243)217-165(189)222-160(139)252)334-106(88)54-316-369(297,298)348-85-29-126(238-62-201-134-143(184)193-58-197-147(134)238)330-102(85)50-312-360(279,280)342-80-25-122(234-36-70(3)155(247)225-174(234)261)326-99(80)47-308-367(293,294)347-84-28-125(237-61-200-133-142(183)192-57-196-146(133)237)329-101(84)49-311-357(273,274)338-75-20-117(229-13-7-110(178)210-169(229)256)319-92(75)40-302-354(267,268)335-72-17-114(226-10-4-107(175)207-166(226)253)318-91(72)39-301-355(269,270)336-73-18-115(227-11-5-108(176)208-167(227)254)322-95(73)43-305-365(289,290)349-86-31-128(241-65-204-137-150(241)215-163(187)220-158(137)250)332-104(86)52-314-359(277,278)340-77-22-119(231-15-9-112(180)212-171(231)258)323-96(77)44-306-366(291,292)350-87-32-129(242-66-205-138-151(242)216-164(188)221-159(138)251)333-105(87)53-315-361(281,282)343-79-24-121(233-35-69(2)154(246)224-173(233)260)325-98(79)46-307-356(271,272)337-74-19-116(228-12-6-109(177)209-168(228)255)320-93(74)41-303-363(285,286)345-82-26-123(235-59-198-131-140(181)190-55-194-144(131)235)328-100(82)48-310-358(275,276)339-76-21-118(230-14-8-111(179)211-170(230)257)321-94(76)42-304-364(287,288)346-83-27-124(236-60-199-132-141(182)191-56-195-145(132)236)331-103(83)51-313-362(283,284)344-81-30-127(327-90(81)38-299-352(262,263)264)240-64-203-136-149(240)214-162(186)219-157(136)249/h4-15,34-36,55-67,71-106,113-130,244H,16-33,37-54H2,1-3H3,(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H2,175,207,253)(H2,176,208,254)(H2,177,209,255)(H2,178,210,256)(H2,179,211,257)(H2,180,212,258)(H2,181,190,194)(H2,182,191,195)(H2,183,192,196)(H2,184,193,197)(H,223,245,259)(H,224,246,260)(H,225,247,261)(H2,262,263,264)(H3,185,213,218,248)(H3,186,214,219,249)(H3,187,215,220,250)(H3,188,216,221,251)(H3,189,217,222,252)

InChIKey

AVYLEWPLYRUPPH-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197285