5'-dattcgtgctcatgg-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₃₇H₁₇₄N₄₉O₇₂P₁₃S₁₃

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C(N=CN=C54)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C137H174N49O72P13S13/c1-53-26-176(133(201)168-117(53)189)93-17-63(77(237-93)36-220-260(207,273)246-59-13-98(232-72(59)31-187)181-47-151-103-109(141)147-45-149-111(103)181)252-266(213,279)225-38-79-65(19-95(239-79)178-28-55(3)119(191)170-135(178)203)251-265(212,278)222-34-75-62(16-92(235-75)175-11-8-88(140)159-132(175)200)249-263(210,276)229-43-84-71(25-102(244-84)186-52-156-108-116(186)163-129(146)167-125(108)197)258-271(218,284)227-40-81-67(21-97(241-81)180-30-57(5)121(193)172-137(180)205)254-268(215,281)231-44-85-70(24-101(245-85)185-51-155-107-115(185)162-128(145)166-124(107)196)257-269(216,282)223-35-76-60(14-90(236-76)173-9-6-86(138)157-130(173)198)247-261(208,274)224-37-78-64(18-94(238-78)177-27-54(2)118(190)169-134(177)202)250-264(211,277)221-33-74-61(15-91(234-74)174-10-7-87(139)158-131(174)199)248-262(209,275)228-41-82-68(22-99(242-82)182-48-152-104-110(142)148-46-150-112(104)182)256-270(217,283)226-39-80-66(20-96(240-80)179-29-56(4)120(192)171-136(179)204)253-267(214,280)230-42-83-69(23-100(243-83)184-50-154-106-114(184)161-127(144)165-123(106)195)255-259(206,272)219-32-73-58(188)12-89(233-73)183-49-153-105-113(183)160-126(143)164-122(105)194/h6-11,26-30,45-52,58-85,89-102,187-188H,12-25,31-44H2,1-5H3,(H,206,272)(H,207,273)(H,208,274)(H,209,275)(H,210,276)(H,211,277)(H,212,278)(H,213,279)(H,214,280)(H,215,281)(H,216,282)(H,217,283)(H,218,284)(H2,138,157,198)(H2,139,158,199)(H2,140,159,200)(H2,141,147,149)(H2,142,148,150)(H,168,189,201)(H,169,190,202)(H,170,191,203)(H,171,192,204)(H,172,193,205)(H3,143,160,164,194)(H3,144,161,165,195)(H3,145,162,166,196)(H3,146,163,167,197)

InChIKey

MJKDVEMXLZBLPD-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131555