Anticodon

Structural Information

Molecular Formula

C₁₄₇H₁₈₇N₅₁O₇₆P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C147H187N51O76P14S14/c1-59-28-187(142(212)178-129(59)201)102-17-69(264-275(218,289)232-35-81-65(200)13-98(247-81)197-57-169-117-127(197)174-137(155)176-135(117)207)84(250-102)38-236-277(220,291)262-67-15-100(185-11-8-96(149)172-140(185)210)248-82(67)36-234-279(222,293)265-70-18-103(188-29-60(2)130(202)179-143(188)213)255-89(70)43-241-285(228,299)271-77-25-110(195-55-167-115-121(153)159-51-163-125(115)195)258-92(77)46-243-286(229,300)273-78-26-111(196-56-168-116-122(154)160-52-164-126(116)196)257-91(78)45-242-283(226,297)269-74-22-107(192-33-64(6)134(206)183-147(192)217)254-88(74)42-240-282(225,296)268-73-21-106(191-32-63(5)133(205)182-146(191)216)253-87(73)41-239-281(224,295)267-72-20-105(190-31-62(4)132(204)181-145(190)215)252-86(72)40-238-280(223,294)266-71-19-104(189-30-61(3)131(203)180-144(189)214)251-85(71)39-237-278(221,292)263-68-16-101(186-12-9-97(150)173-141(186)211)249-83(68)37-235-284(227,298)270-76-24-109(194-54-166-114-120(152)158-50-162-124(114)194)259-93(76)47-244-288(231,302)274-79-27-112(198-58-170-118-128(198)175-138(156)177-136(118)208)260-94(79)48-245-287(230,301)272-75-23-108(193-53-165-113-119(151)157-49-161-123(113)193)256-90(75)44-233-276(219,290)261-66-14-99(246-80(66)34-199)184-10-7-95(148)171-139(184)209/h7-12,28-33,49-58,65-94,98-112,199-200H,13-27,34-48H2,1-6H3,(H,218,289)(H,219,290)(H,220,291)(H,221,292)(H,222,293)(H,223,294)(H,224,295)(H,225,296)(H,226,297)(H,227,298)(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H2,148,171,209)(H2,149,172,210)(H2,150,173,211)(H2,151,157,161)(H2,152,158,162)(H2,153,159,163)(H2,154,160,164)(H,178,201,212)(H,179,202,213)(H,180,203,214)(H,181,204,215)(H,182,205,216)(H,183,206,217)(H3,155,174,176,207)(H3,156,175,177,208)

InChIKey

GJVCJFPKACWMSC-UHFFFAOYSA-N

Compound name

1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16133935