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

Structural Information

Molecular Formula

C₁₄₆H₁₈₂N₆₄O₇₂P₁₄S₁₄

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(OC7CO)N8C=NC9=C(N=CN=C98)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=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)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C146H182N64O72P14S14/c1-54-25-200(146(225)195-127(54)213)93-15-60(75(259-93)31-245-291(234,305)276-62-17-96(203-46-169-106-116(153)163-43-166-119(106)203)260-76(62)32-246-286(229,300)271-59-14-92(199-9-5-88(150)180-145(199)224)258-74(59)30-244-290(233,304)277-65-20-99(206-49-172-109-122(206)183-137(156)190-130(109)216)266-82(65)38-251-294(237,308)278-64-19-98(205-48-171-108-121(205)182-136(155)189-129(108)215)262-78(64)34-241-284(227,298)269-56-11-94(254-70(56)26-211)201-44-167-104-114(151)161-41-164-117(104)201)273-288(231,302)249-37-81-67(22-101(265-81)208-51-174-111-124(208)185-139(158)192-132(111)218)279-292(235,306)247-33-77-61(16-95(261-77)202-45-168-105-115(152)162-42-165-118(105)202)275-289(232,303)243-29-73-57(12-90(257-73)197-7-3-86(148)178-143(197)222)270-285(228,299)242-28-72-58(13-91(256-72)198-8-4-87(149)179-144(198)223)272-287(230,301)248-36-80-66(21-100(264-80)207-50-173-110-123(207)184-138(157)191-131(110)217)280-295(238,309)252-40-84-69(24-103(268-84)210-53-176-113-126(210)187-141(160)194-134(113)220)282-296(239,310)253-39-83-68(23-102(267-83)209-52-175-112-125(209)186-140(159)193-133(112)219)281-293(236,307)250-35-79-63(18-97(263-79)204-47-170-107-120(204)181-135(154)188-128(107)214)274-283(226,297)240-27-71-55(212)10-89(255-71)196-6-2-85(147)177-142(196)221/h2-9,25,41-53,55-84,89-103,211-212H,10-24,26-40H2,1H3,(H,226,297)(H,227,298)(H,228,299)(H,229,300)(H,230,301)(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)(H2,147,177,221)(H2,148,178,222)(H2,149,179,223)(H2,150,180,224)(H2,151,161,164)(H2,152,162,165)(H2,153,163,166)(H,195,213,225)(H3,154,181,188,214)(H3,155,182,189,215)(H3,156,183,190,216)(H3,157,184,191,217)(H3,158,185,192,218)(H3,159,186,193,219)(H3,160,187,194,220)

InChIKey

RHURMJNLIODPEB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133538