5'-dattcctcctcatcg-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₃₄H₁₇₄N₄₃O₇₂P₁₃S₁₃

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(=O)(OC7CC(OC7CO)N8C=NC9=C(N=CN=C98)N)S)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C134H174N43O72P13S13/c1-56-32-170(130(192)159-117(56)180)102-26-69(83(231-102)45-211-251(198,264)237-62-19-107(223-75(62)37-178)175-53-148-109-112(141)144-51-146-114(109)175)248-261(208,274)220-48-86-72(29-105(234-86)173-35-59(4)120(183)162-133(173)195)246-260(207,273)216-43-81-65(22-98(229-81)166-14-8-91(137)153-126(166)188)240-253(200,266)213-41-79-66(23-99(227-79)167-15-9-92(138)154-127(167)189)241-254(201,267)218-46-84-70(27-103(232-84)171-33-57(2)118(181)160-131(171)193)244-258(205,271)215-42-80-64(21-97(228-80)165-13-7-90(136)152-125(165)187)239-252(199,265)212-40-78-67(24-100(226-78)168-16-10-93(139)155-128(168)190)242-255(202,268)219-47-85-71(28-104(233-85)172-34-58(3)119(182)161-132(172)194)245-259(206,272)217-44-82-68(25-101(230-82)169-17-11-94(140)156-129(169)191)243-256(203,269)222-50-88-74(31-108(236-88)176-54-149-110-113(142)145-52-147-115(110)176)249-262(209,275)221-49-87-73(30-106(235-87)174-36-60(5)121(184)163-134(174)196)247-257(204,270)214-39-77-63(20-96(225-77)164-12-6-89(135)151-124(164)186)238-250(197,263)210-38-76-61(179)18-95(224-76)177-55-150-111-116(177)157-123(143)158-122(111)185/h6-17,32-36,51-55,61-88,95-108,178-179H,18-31,37-50H2,1-5H3,(H,197,263)(H,198,264)(H,199,265)(H,200,266)(H,201,267)(H,202,268)(H,203,269)(H,204,270)(H,205,271)(H,206,272)(H,207,273)(H,208,274)(H,209,275)(H2,135,151,186)(H2,136,152,187)(H2,137,153,188)(H2,138,154,189)(H2,139,155,190)(H2,140,156,191)(H2,141,144,146)(H2,142,145,147)(H,159,180,192)(H,160,181,193)(H,161,182,194)(H,162,183,195)(H,163,184,196)(H3,143,157,158,185)

InChIKey

ANNOKAXXHBUUPB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131556