Ccccaactgtgtact

Structural Information

Molecular Formula

C₁₃₅H₁₇₄N₄₈O₈₆P₁₄

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

InChI

InChI=1S/C135H174N48O86P14/c1-55-29-175(132(196)166-119(55)185)92-15-59(184)73(243-92)33-230-271(203,204)258-61-17-94(171-11-6-88(137)158-128(171)192)245-75(61)35-233-279(219,220)265-68-24-101(179-50-152-106-111(141)146-47-149-114(106)179)253-83(68)43-239-276(213,214)262-66-22-99(177-31-57(3)121(187)168-134(177)198)250-80(66)40-236-281(223,224)268-72-28-105(183-54-156-110-118(183)163-126(145)165-124(110)190)256-86(72)46-242-278(217,218)264-67-23-100(178-32-58(4)122(188)169-135(178)199)251-81(67)41-237-282(225,226)269-71-27-104(182-53-155-109-117(182)162-125(144)164-123(109)189)255-85(71)45-241-277(215,216)263-65-21-98(176-30-56(2)120(186)167-133(176)197)249-79(65)39-235-274(209,210)260-63-19-96(173-13-8-90(139)160-130(173)194)248-78(63)38-234-280(221,222)266-69-25-102(180-51-153-107-112(142)147-48-150-115(107)180)254-84(69)44-240-283(227,228)267-70-26-103(181-52-154-108-113(143)148-49-151-116(108)181)252-82(70)42-238-275(211,212)261-64-20-97(174-14-9-91(140)161-131(174)195)247-77(64)37-232-273(207,208)259-62-18-95(172-12-7-89(138)159-129(172)193)246-76(62)36-231-272(205,206)257-60-16-93(170-10-5-87(136)157-127(170)191)244-74(60)34-229-270(200,201)202/h5-14,29-32,47-54,59-86,92-105,184H,15-28,33-46H2,1-4H3,(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H2,136,157,191)(H2,137,158,192)(H2,138,159,193)(H2,139,160,194)(H2,140,161,195)(H2,141,146,149)(H2,142,147,150)(H2,143,148,151)(H,166,185,196)(H,167,186,197)(H,168,187,198)(H,169,188,199)(H2,200,201,202)(H3,144,162,164,189)(H3,145,163,165,190)

InChIKey

YPLIZLJXBYGQCP-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197334