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

Structural Information

Molecular Formula

C₁₉₇H₂₄₅N₈₂O₉₉P₁₉S₁₉

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(OC7CO)N8C=NC9=C8N=C(NC9=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)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=C(NC2=O)N)OP(=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=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=C(N=CN=C21)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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S

InChI

InChI=1S/C197H245N82O99P19S19/c1-72-31-263(194(298)256-169(72)282)122-15-80(363-382(305,401)324-38-99-79(14-121(343-99)262-10-7-118(200)237-193(262)297)362-381(304,400)323-37-98-78(13-120(342-98)261-9-6-117(199)236-192(261)296)361-379(302,398)321-36-97-76(281)11-119(341-97)260-8-5-116(198)235-191(260)295)101(345-122)40-326-386(309,405)367-84-19-126(267-59-222-139-152(201)214-55-218-156(139)267)348-104(84)43-329-389(312,408)369-86-21-128(269-61-224-141-154(203)216-57-220-158(141)269)350-106(86)45-331-391(314,410)373-90-25-133(274-66-229-146-163(274)241-185(208)250-176(146)289)353-109(90)48-333-385(308,404)366-83-18-125(266-34-75(4)172(285)259-197(266)301)346-102(83)41-327-387(310,406)368-85-20-127(268-60-223-140-153(202)215-56-219-157(140)268)349-105(85)44-330-390(313,409)370-87-22-129(270-62-225-142-155(204)217-58-221-159(142)270)351-107(87)46-332-392(315,411)374-92-27-135(276-68-231-148-165(276)243-187(210)252-178(148)291)356-112(92)51-337-396(319,415)377-95-30-138(279-71-234-151-168(279)246-190(213)255-181(151)294)359-115(95)54-339-397(320,416)378-94-29-137(278-70-233-150-167(278)245-189(212)254-180(150)293)358-114(94)53-338-394(317,413)375-91-26-134(275-67-230-147-164(275)242-186(209)251-177(147)290)354-110(91)49-334-384(307,403)365-82-17-124(265-33-74(3)171(284)258-196(265)300)344-100(82)39-325-383(306,402)364-81-16-123(264-32-73(2)170(283)257-195(264)299)347-103(81)42-328-388(311,407)371-89-24-132(273-65-228-145-162(273)240-184(207)249-175(145)288)355-111(89)50-336-395(318,414)376-93-28-136(277-69-232-149-166(277)244-188(211)253-179(149)292)357-113(93)52-335-393(316,412)372-88-23-131(272-64-227-144-161(272)239-183(206)248-174(144)287)352-108(88)47-322-380(303,399)360-77-12-130(340-96(77)35-280)271-63-226-143-160(271)238-182(205)247-173(143)286/h5-10,31-34,55-71,76-115,119-138,280-281H,11-30,35-54H2,1-4H3,(H,302,398)(H,303,399)(H,304,400)(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)(H2,198,235,295)(H2,199,236,296)(H2,200,237,297)(H2,201,214,218)(H2,202,215,219)(H2,203,216,220)(H2,204,217,221)(H,256,282,298)(H,257,283,299)(H,258,284,300)(H,259,285,301)(H3,205,238,247,286)(H3,206,239,248,287)(H3,207,240,249,288)(H3,208,241,250,289)(H3,209,242,251,290)(H3,210,243,252,291)(H3,211,244,253,292)(H3,212,245,254,293)(H3,213,246,255,294)

InChIKey

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

Related CIDs

• CID 16133527