5'-d(ccccca)td(gga)-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₉₅H₁₂₂N₃₇O₄₈P₉S₉

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(OC8CO)N9C=CC(=NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)OP(=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=C(N=CN=C21)N)O)S

InChI

InChI=1S/C95H122N37O48P9S9/c1-39-22-128(95(143)122-85(39)135)71-18-46(177-187(150,196)160-32-59-49(21-74(171-59)132-38-112-78-84(132)119-89(104)121-87(78)137)180-189(152,198)161-31-58-48(20-73(170-58)131-37-111-77-83(131)118-88(103)120-86(77)136)178-181(144,190)153-24-51-40(134)12-65(163-51)129-35-109-75-79(101)105-33-107-81(75)129)56(168-71)29-158-188(151,197)179-47-19-72(130-36-110-76-80(102)106-34-108-82(76)130)169-57(47)30-159-186(149,195)176-45-17-70(127-11-6-64(100)117-94(127)142)167-55(45)28-157-185(148,194)175-44-16-69(126-10-5-63(99)116-93(126)141)166-54(44)27-156-184(147,193)174-43-15-68(125-9-4-62(98)115-92(125)140)165-53(43)26-155-183(146,192)173-42-14-67(124-8-3-61(97)114-91(124)139)164-52(42)25-154-182(145,191)172-41-13-66(162-50(41)23-133)123-7-2-60(96)113-90(123)138/h2-11,22,33-38,40-59,65-74,133-134H,12-21,23-32H2,1H3,(H,144,190)(H,145,191)(H,146,192)(H,147,193)(H,148,194)(H,149,195)(H,150,196)(H,151,197)(H,152,198)(H2,96,113,138)(H2,97,114,139)(H2,98,115,140)(H2,99,116,141)(H2,100,117,142)(H2,101,105,107)(H2,102,106,108)(H,122,135,143)(H3,103,118,120,136)(H3,104,119,121,137)

InChIKey

LOALDODGMRWCRS-UHFFFAOYSA-N

Compound name

1-[4-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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 16133604