5'-td[ccgaagacg]-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₉₇H₁₂₂N₄₁O₄₇P₉S₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)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(=O)(OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C97H122N41O47P9S9/c1-38-18-132(97(148)128-87(38)141)66-9-40(49(19-139)167-66)177-187(150,196)159-21-51-42(11-64(169-51)130-6-3-60(99)120-95(130)146)179-188(151,197)160-23-53-43(12-65(171-53)131-7-4-61(100)121-96(131)147)180-189(152,198)165-27-57-47(16-70(175-57)137-36-117-76-85(137)123-92(105)126-89(76)143)184-193(156,202)164-26-56-45(14-68(174-56)134-33-114-73-79(102)108-30-111-82(73)134)182-191(154,200)162-24-54-46(15-69(172-54)135-34-115-74-80(103)109-31-112-83(74)135)183-192(155,201)166-28-58-48(17-71(176-58)138-37-118-77-86(138)124-93(106)127-90(77)144)185-194(157,203)163-25-55-44(13-67(173-55)133-32-113-72-78(101)107-29-110-81(72)133)181-190(153,199)161-22-52-41(10-63(170-52)129-5-2-59(98)119-94(129)145)178-186(149,195)158-20-50-39(140)8-62(168-50)136-35-116-75-84(136)122-91(104)125-88(75)142/h2-7,18,29-37,39-58,62-71,139-140H,8-17,19-28H2,1H3,(H,149,195)(H,150,196)(H,151,197)(H,152,198)(H,153,199)(H,154,200)(H,155,201)(H,156,202)(H,157,203)(H2,98,119,145)(H2,99,120,146)(H2,100,121,147)(H2,101,107,110)(H2,102,108,111)(H2,103,109,112)(H,128,141,148)(H3,104,122,125,142)(H3,105,123,126,143)(H3,106,124,127,144)

InChIKey

HLPHYSPVRZBRKL-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133603