Ctgctagagattaa

Structural Information

Molecular Formula

C₁₃₈H₁₇₄N₅₄O₈₄P₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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=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=C(C(=O)NC1=O)C)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)O

InChI

InChI=1S/C138H174N54O84P14/c1-54-23-181(135(203)175-123(54)194)91-12-61(266-281(216,217)241-32-77-64(15-94(255-77)184-26-57(4)126(197)178-138(184)206)268-282(218,219)243-34-79-65(16-95(257-79)186-47-160-103-111(142)150-42-155-116(103)186)270-278(210,211)237-27-72-58(193)9-88(250-72)185-46-159-102-110(141)149-41-154-115(102)185)78(256-91)33-242-286(226,227)271-66-17-96(187-48-161-104-112(143)151-43-156-117(104)187)259-81(66)36-245-289(232,233)275-70-21-100(191-52-165-108-121(191)170-131(147)173-128(108)199)263-85(70)40-249-288(230,231)273-68-19-98(189-50-163-106-114(145)153-45-158-119(106)189)260-82(68)37-246-290(234,235)276-71-22-101(192-53-166-109-122(192)171-132(148)174-129(109)200)262-84(71)39-248-287(228,229)272-67-18-97(188-49-162-105-113(144)152-44-157-118(105)188)258-80(67)35-244-283(220,221)267-63-14-93(183-25-56(3)125(196)177-137(183)205)254-76(63)31-240-280(214,215)265-60-11-90(180-8-6-87(140)168-134(180)202)252-74(60)29-238-285(224,225)274-69-20-99(190-51-164-107-120(190)169-130(146)172-127(107)198)261-83(69)38-247-284(222,223)269-62-13-92(182-24-55(2)124(195)176-136(182)204)253-75(62)30-239-279(212,213)264-59-10-89(179-7-5-86(139)167-133(179)201)251-73(59)28-236-277(207,208)209/h5-8,23-26,41-53,58-85,88-101,193H,9-22,27-40H2,1-4H3,(H,210,211)(H,212,213)(H,214,215)(H,216,217)(H,218,219)(H,220,221)(H,222,223)(H,224,225)(H,226,227)(H,228,229)(H,230,231)(H,232,233)(H,234,235)(H2,139,167,201)(H2,140,168,202)(H2,141,149,154)(H2,142,150,155)(H2,143,151,156)(H2,144,152,157)(H2,145,153,158)(H,175,194,203)(H,176,195,204)(H,177,196,205)(H,178,197,206)(H2,207,208,209)(H3,146,169,172,198)(H3,147,170,173,199)(H3,148,171,174,200)

InChIKey

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

Related CIDs

• CID 16197339