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

Structural Information

Molecular Formula

C₁₁₆H₁₄₆N₄₉O₅₈P₁₁S₁₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)N6C=NC7=C(N=CN=C76)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=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/C116H146N49O58P11S11/c1-44-22-158(116(178)153-101(44)168)77-14-49(61(205-77)27-194-230(185,241)219-50-15-78(159-37-132-85-92(121)128-35-130-94(85)159)206-62(50)28-191-225(180,236)213-46-11-74(201-57(46)23-166)155-7-3-70(118)140-113(155)175)216-228(183,239)197-32-66-54(19-82(210-66)163-41-136-89-98(163)145-109(125)150-104(89)171)220-231(186,242)195-29-63-51(16-79(207-63)160-38-133-86-93(122)129-36-131-95(86)160)218-229(184,240)193-26-60-47(12-75(204-60)156-8-4-71(119)141-114(156)176)214-226(181,237)192-25-59-48(13-76(203-59)157-9-5-72(120)142-115(157)177)215-227(182,238)196-31-65-53(18-81(209-65)162-40-135-88-97(162)144-108(124)149-103(88)170)221-233(188,244)199-34-68-56(21-84(212-68)165-43-138-91-100(165)147-111(127)152-106(91)173)223-234(189,245)200-33-67-55(20-83(211-67)164-42-137-90-99(164)146-110(126)151-105(90)172)222-232(187,243)198-30-64-52(17-80(208-64)161-39-134-87-96(161)143-107(123)148-102(87)169)217-224(179,235)190-24-58-45(167)10-73(202-58)154-6-2-69(117)139-112(154)174/h2-9,22,35-43,45-68,73-84,166-167H,10-21,23-34H2,1H3,(H,179,235)(H,180,236)(H,181,237)(H,182,238)(H,183,239)(H,184,240)(H,185,241)(H,186,242)(H,187,243)(H,188,244)(H,189,245)(H2,117,139,174)(H2,118,140,175)(H2,119,141,176)(H2,120,142,177)(H2,121,128,130)(H2,122,129,131)(H,153,168,178)(H3,123,143,148,169)(H3,124,144,149,170)(H3,125,145,150,171)(H3,126,146,151,172)(H3,127,147,152,173)

InChIKey

JANORGUSJSMKAK-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-[[[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-2-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16133539