5'-dttgaggtttaggattcgt-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₇₉H₂₂₅N₆₄O₉₄P₁₇S₁₇

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(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C179H225N64O94P17S17/c1-67-29-227(172(261)218-151(67)246)112-11-75(245)94(304-112)38-286-338(269,355)329-87-23-124(238-61-199-133-145(238)206-165(184)212-159(133)254)315-105(87)49-297-340(271,357)322-77-13-113(226-10-9-111(180)205-171(226)260)305-95(77)39-288-341(272,358)323-79-15-116(230-32-70(4)154(249)221-175(230)264)307-97(79)41-289-343(274,360)325-81-17-118(232-34-72(6)156(251)223-177(232)266)310-100(81)44-292-347(278,364)330-84-20-121(235-58-196-130-139(181)190-55-193-142(130)235)313-103(84)47-295-352(283,369)335-90-26-127(241-64-202-136-148(241)209-168(187)215-162(136)257)320-110(90)54-302-354(285,371)337-92-28-129(243-66-204-138-150(243)211-170(189)217-164(138)259)317-107(92)51-299-349(280,366)331-85-21-122(236-59-197-131-140(182)191-56-194-143(131)236)312-102(85)46-294-345(276,362)328-83-19-120(234-36-74(8)158(253)225-179(234)268)309-99(83)43-291-342(273,359)324-80-16-117(231-33-71(5)155(250)222-176(231)265)308-98(80)42-290-344(275,361)326-82-18-119(233-35-73(7)157(252)224-178(233)267)311-101(82)45-293-348(279,365)333-88-24-125(239-62-200-134-146(239)207-166(185)213-160(134)255)319-109(88)53-301-353(284,370)336-91-27-128(242-65-203-137-149(242)210-169(188)216-163(137)258)318-108(91)52-300-350(281,367)332-86-22-123(237-60-198-132-141(183)192-57-195-144(132)237)314-104(86)48-296-351(282,368)334-89-25-126(240-63-201-135-147(240)208-167(186)214-161(135)256)316-106(89)50-298-346(277,363)327-78-14-115(229-31-69(3)153(248)220-174(229)263)306-96(78)40-287-339(270,356)321-76-12-114(303-93(76)37-244)228-30-68(2)152(247)219-173(228)262/h9-10,29-36,55-66,75-110,112-129,244-245H,11-28,37-54H2,1-8H3,(H,269,355)(H,270,356)(H,271,357)(H,272,358)(H,273,359)(H,274,360)(H,275,361)(H,276,362)(H,277,363)(H,278,364)(H,279,365)(H,280,366)(H,281,367)(H,282,368)(H,283,369)(H,284,370)(H,285,371)(H2,180,205,260)(H2,181,190,193)(H2,182,191,194)(H2,183,192,195)(H,218,246,261)(H,219,247,262)(H,220,248,263)(H,221,249,264)(H,222,250,265)(H,223,251,266)(H,224,252,267)(H,225,253,268)(H3,184,206,212,254)(H3,185,207,213,255)(H3,186,208,214,256)(H3,187,209,215,257)(H3,188,210,216,258)(H3,189,211,217,259)

InChIKey

KLTUQXIAHHLAQL-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131557