5'-d[agaccggggttgggg]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₄₈H₁₈₃N₆₅O₇₄P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=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(OC1CO)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=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C148H183N65O74P14S14/c1-52-22-201(147(229)197-125(52)216)89-11-58(277-292(235,306)249-28-73-59(12-90(263-73)202-23-53(2)126(217)198-148(202)230)278-293(236,307)253-34-79-65(18-97(269-79)210-48-173-108-121(210)184-141(158)193-132(108)223)284-299(242,313)257-36-81-66(19-98(271-81)211-49-174-109-122(211)185-142(159)194-133(109)224)285-297(240,311)254-32-77-61(14-93(267-77)206-44-169-104-117(206)180-137(154)189-128(104)219)279-288(231,302)245-25-70-54(215)7-86(260-70)205-43-168-103-116(205)179-136(153)188-127(103)218)74(264-89)29-250-295(238,309)281-63-16-95(208-46-171-106-119(208)182-139(156)191-130(106)221)270-80(63)35-255-300(243,314)286-67-20-99(212-50-175-110-123(212)186-143(160)195-134(110)225)273-83(67)38-258-301(244,315)287-68-21-100(213-51-176-111-124(213)187-144(161)196-135(111)226)272-82(68)37-256-298(241,312)283-64-17-96(209-47-172-107-120(209)183-140(157)192-131(107)222)268-78(64)33-252-291(234,305)276-57-10-88(200-6-4-85(150)178-146(200)228)261-71(57)26-247-290(233,304)275-56-9-87(199-5-3-84(149)177-145(199)227)262-72(56)27-248-294(237,308)280-60-13-92(204-42-167-102-113(152)163-40-165-115(102)204)265-75(60)30-251-296(239,310)282-62-15-94(207-45-170-105-118(207)181-138(155)190-129(105)220)266-76(62)31-246-289(232,303)274-55-8-91(259-69(55)24-214)203-41-166-101-112(151)162-39-164-114(101)203/h3-6,22-23,39-51,54-83,86-100,214-215H,7-21,24-38H2,1-2H3,(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H,237,308)(H,238,309)(H,239,310)(H,240,311)(H,241,312)(H,242,313)(H,243,314)(H,244,315)(H2,149,177,227)(H2,150,178,228)(H2,151,162,164)(H2,152,163,165)(H,197,216,229)(H,198,217,230)(H3,153,179,188,218)(H3,154,180,189,219)(H3,155,181,190,220)(H3,156,182,191,221)(H3,157,183,192,222)(H3,158,184,193,223)(H3,159,185,194,224)(H3,160,186,195,225)(H3,161,187,196,226)

InChIKey

OUNJLCJVAPMETH-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133555