Caatgacactgcgcccat

Structural Information

Molecular Formula

C₁₇₃H₂₂₁N₆₇O₁₀₇P₁₈

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)O)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=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)O

InChI

InChI=1S/C173H221N67O107P18/c1-70-36-230(171(255)220-155(70)242)116-18-73(241)91(313-116)39-296-349(261,262)340-83-28-126(233-62-199-134-142(181)189-57-194-147(134)233)323-101(83)49-306-354(271,272)335-78-23-121(227-15-8-113(178)211-168(227)252)316-94(78)42-298-351(265,266)332-75-20-118(224-12-5-110(175)208-165(224)249)315-93(75)41-297-352(267,268)333-76-21-119(225-13-6-111(176)209-166(225)250)319-97(76)45-301-361(285,286)345-88-33-131(238-67-204-139-152(238)214-161(186)217-158(139)245)328-106(88)54-310-356(275,276)337-80-25-123(229-17-10-115(180)213-170(229)254)320-98(80)46-302-362(287,288)346-89-34-132(239-68-205-140-153(239)215-162(187)218-159(140)246)329-107(89)55-311-357(277,278)338-81-26-124(231-37-71(2)156(243)221-172(231)256)321-99(81)47-303-353(269,270)334-77-22-120(226-14-7-112(177)210-167(226)251)317-95(77)43-299-359(281,282)341-84-29-127(234-63-200-135-143(182)190-58-195-148(135)234)325-103(84)51-307-355(273,274)336-79-24-122(228-16-9-114(179)212-169(228)253)318-96(79)44-300-360(283,284)342-85-30-128(235-64-201-136-144(183)191-59-196-149(136)235)327-105(85)53-309-365(293,294)347-90-35-133(240-69-206-141-154(240)216-163(188)219-160(141)247)330-108(90)56-312-358(279,280)339-82-27-125(232-38-72(3)157(244)222-173(232)257)322-100(82)48-304-363(289,290)343-86-31-129(236-65-202-137-145(184)192-60-197-150(137)236)326-104(86)52-308-364(291,292)344-87-32-130(237-66-203-138-146(185)193-61-198-151(138)237)324-102(87)50-305-350(263,264)331-74-19-117(223-11-4-109(174)207-164(223)248)314-92(74)40-295-348(258,259)260/h4-17,36-38,57-69,73-108,116-133,241H,18-35,39-56H2,1-3H3,(H,261,262)(H,263,264)(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)(H2,174,207,248)(H2,175,208,249)(H2,176,209,250)(H2,177,210,251)(H2,178,211,252)(H2,179,212,253)(H2,180,213,254)(H2,181,189,194)(H2,182,190,195)(H2,183,191,196)(H2,184,192,197)(H2,185,193,198)(H,220,242,255)(H,221,243,256)(H,222,244,257)(H2,258,259,260)(H3,186,214,217,245)(H3,187,215,218,246)(H3,188,216,219,247)

InChIKey

NHHMWZBNALWAQA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197287