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

Structural Information

Molecular Formula

C₁₉₈H₂₄₃N₈₂O₁₀₁P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C9N=C(NC1=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=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=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=CNC2=O)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=CNC2=O)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C198H243N82O101P19S19/c1-71-29-263(195(301)257-167(71)283)120-13-79(99(347-120)37-325-383(306,402)363-76-10-128(343-95(76)33-281)272-62-226-142-158(272)238-184(204)248-174(142)290)366-386(309,405)328-38-100-81(15-122(348-100)265-31-73(3)169(285)259-197(265)303)368-388(311,407)336-46-108-89(23-131(356-108)275-65-229-145-161(275)241-187(207)251-177(145)293)380-399(322,418)341-50-112-92(26-134(360-112)278-68-232-148-164(278)244-190(210)254-180(148)296)376-395(318,414)332-42-104-84(18-125(352-104)268-58-222-138-152(202)214-54-216-154(138)268)372-392(315,411)338-48-111-91(25-133(359-111)277-67-231-147-163(277)243-189(209)253-179(147)295)375-394(317,413)331-41-103-83(17-124(351-103)267-57-221-137-151(201)213-53-215-153(137)267)371-390(313,409)327-36-98-77(11-118(346-98)261-7-5-115(199)235-193(261)299)364-384(307,403)326-35-97-78(12-119(345-97)262-8-6-116(200)236-194(262)300)365-385(308,404)335-45-107-88(22-130(355-107)274-64-228-144-160(274)240-186(206)250-176(144)292)379-398(321,417)340-52-114-94(28-136(362-114)280-70-234-150-166(280)246-192(212)256-182(150)298)378-397(320,416)334-44-106-86(20-127(354-106)270-60-224-140-156(270)218-56-220-172(140)288)373-393(316,412)339-49-110-87(21-129(358-110)273-63-227-143-159(273)239-185(205)249-175(143)291)374-391(314,410)330-40-102-80(14-121(350-102)264-30-72(2)168(284)258-196(264)302)367-387(310,406)329-39-101-82(16-123(349-101)266-32-74(4)170(286)260-198(266)304)369-389(312,408)337-47-109-90(24-132(357-109)276-66-230-146-162(276)242-188(208)252-178(146)294)381-400(323,419)342-51-113-93(27-135(361-113)279-69-233-149-165(279)245-191(211)255-181(149)297)377-396(319,415)333-43-105-85(19-126(353-105)269-59-223-139-155(269)217-55-219-171(139)287)370-382(305,401)324-34-96-75(282)9-117(344-96)271-61-225-141-157(271)237-183(203)247-173(141)289/h5-8,29-32,53-70,75-114,117-136,281-282H,9-28,33-52H2,1-4H3,(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H,314,410)(H,315,411)(H,316,412)(H,317,413)(H,318,414)(H,319,415)(H,320,416)(H,321,417)(H,322,418)(H,323,419)(H2,199,235,299)(H2,200,236,300)(H2,201,213,215)(H2,202,214,216)(H,217,219,287)(H,218,220,288)(H,257,283,301)(H,258,284,302)(H,259,285,303)(H,260,286,304)(H3,203,237,247,289)(H3,204,238,248,290)(H3,205,239,249,291)(H3,206,240,250,292)(H3,207,241,251,293)(H3,208,242,252,294)(H3,209,243,253,295)(H3,210,244,254,296)(H3,211,245,255,297)(H3,212,246,256,298)

InChIKey

KYTUCOPMXQYJIG-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133564