5'-d[tggcgggactacgggggc]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₇₆H₂₁₉N₇₆O₈₉P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)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)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(=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=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)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)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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C176H219N76O89P17S17/c1-63-29-239(175(271)233-149(63)255)109-12-66(83(31-253)307-109)325-343(274,360)291-39-91-74(20-114(315-91)244-54-200-126-140(244)214-162(184)224-152(126)258)334-353(284,370)301-43-95-75(21-115(319-95)245-55-201-127-141(245)215-163(185)225-153(127)259)333-350(281,367)294-35-87-69(15-108(311-87)238-10-6-104(180)212-174(238)270)328-346(277,363)299-42-94-77(23-117(318-94)247-57-203-129-143(247)217-165(187)227-155(129)261)337-355(286,372)303-46-98-80(26-120(322-98)250-60-206-132-146(250)220-168(190)230-158(132)264)339-356(287,373)302-44-96-78(24-118(320-96)248-58-204-130-144(248)218-166(188)228-156(130)262)335-351(282,368)297-38-90-72(18-112(314-90)242-52-198-124-136(182)194-50-196-138(124)242)332-349(280,366)292-33-85-67(13-106(309-85)236-8-4-102(178)210-172(236)268)326-344(275,361)295-36-88-70(16-110(312-88)240-30-64(2)150(256)234-176(240)272)329-347(278,364)296-37-89-71(17-111(313-89)241-51-197-123-135(181)193-49-195-137(123)241)331-348(279,365)293-34-86-68(14-107(310-86)237-9-5-103(179)211-173(237)269)327-345(276,362)298-41-93-76(22-116(317-93)246-56-202-128-142(246)216-164(186)226-154(128)260)336-354(285,371)304-47-99-81(27-121(323-99)251-61-207-133-147(251)221-169(191)231-159(133)265)340-358(289,375)306-48-100-82(28-122(324-100)252-62-208-134-148(252)222-170(192)232-160(134)266)341-357(288,374)305-45-97-79(25-119(321-97)249-59-205-131-145(249)219-167(189)229-157(131)263)338-352(283,369)300-40-92-73(19-113(316-92)243-53-199-125-139(243)213-161(183)223-151(125)257)330-342(273,359)290-32-84-65(254)11-105(308-84)235-7-3-101(177)209-171(235)267/h3-10,29-30,49-62,65-100,105-122,253-254H,11-28,31-48H2,1-2H3,(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)(H,286,372)(H,287,373)(H,288,374)(H,289,375)(H2,177,209,267)(H2,178,210,268)(H2,179,211,269)(H2,180,212,270)(H2,181,193,195)(H2,182,194,196)(H,233,255,271)(H,234,256,272)(H3,183,213,223,257)(H3,184,214,224,258)(H3,185,215,225,259)(H3,186,216,226,260)(H3,187,217,227,261)(H3,188,218,228,262)(H3,189,219,229,263)(H3,190,220,230,264)(H3,191,221,231,265)(H3,192,222,232,266)

InChIKey

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

Related CIDs

• CID 16133543