5'-d(cacc)td(ccgaagacga)td(aac)-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₉₃H₂₄₃N₈₀O₉₃P₁₉S₁₉

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=C(N=CN=C98)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)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)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=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=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=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=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=CC(=NC1=O)N)O)S

InChI

InChI=1S/C193H243N80O93P19S19/c1-78-37-261(192(288)252-177(78)276)134-25-88(108(336-134)47-316-371(294,390)351-85-22-131(258-14-7-124(198)243-189(258)285)331-103(85)42-311-370(293,389)350-84-21-130(257-13-6-123(197)242-188(257)284)334-106(84)45-314-377(300,396)358-91-28-138(265-69-230-149-160(203)214-61-222-168(149)265)339-111(91)50-318-372(295,391)352-82-19-128(255-11-4-121(195)240-186(255)282)330-102(82)41-310-368(291,387)348-81-18-136(328-100(81)39-274)263-67-228-147-158(201)212-59-220-166(147)263)355-375(298,394)313-44-105-83(20-129(333-105)256-12-5-122(196)241-187(256)283)349-369(292,388)312-43-104-86(23-132(332-104)259-15-8-125(199)244-190(259)286)353-373(296,392)325-56-117-98(35-145(345-117)272-76-237-156-175(272)247-183(210)250-180(156)279)365-384(307,403)324-55-116-95(32-142(344-116)269-73-234-153-164(207)218-65-226-172(153)269)362-381(304,400)321-52-113-96(33-143(341-113)270-74-235-154-165(208)219-66-227-173(154)270)363-382(305,401)327-58-119-99(36-146(347-119)273-77-238-157-176(273)248-184(211)251-181(157)280)366-385(308,404)322-53-114-92(29-139(342-114)266-70-231-150-161(204)215-62-223-169(150)266)359-378(301,397)315-46-107-87(24-133(335-107)260-16-9-126(200)245-191(260)287)354-374(297,393)326-57-118-97(34-144(346-118)271-75-236-155-174(271)246-182(209)249-179(155)278)364-383(306,402)323-54-115-93(30-140(343-115)267-71-232-151-162(205)216-63-224-170(151)267)360-379(302,398)317-48-109-89(26-135(337-109)262-38-79(2)178(277)253-193(262)289)356-376(299,395)319-51-112-94(31-141(340-112)268-72-233-152-163(206)217-64-225-171(152)268)361-380(303,399)320-49-110-90(27-137(338-110)264-68-229-148-159(202)213-60-221-167(148)264)357-367(290,386)309-40-101-80(275)17-127(329-101)254-10-3-120(194)239-185(254)281/h3-16,37-38,59-77,80-119,127-146,274-275H,17-36,39-58H2,1-2H3,(H,290,386)(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H2,194,239,281)(H2,195,240,282)(H2,196,241,283)(H2,197,242,284)(H2,198,243,285)(H2,199,244,286)(H2,200,245,287)(H2,201,212,220)(H2,202,213,221)(H2,203,214,222)(H2,204,215,223)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H,252,276,288)(H,253,277,289)(H3,209,246,249,278)(H3,210,247,250,279)(H3,211,248,251,280)

InChIKey

BIOIGLWMOHTFDU-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197761