5'-d[ttgataaatagtactaggac]-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₉₈H₂₄₇N₇₈O₉₇P₁₉S₁₉

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)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=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=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=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(=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)O)S

InChI

InChI=1S/C198H247N78O97P19S19/c1-77-31-259(193(291)251-177(77)279)127-12-84(103(37-277)335-127)355-375(298,394)317-40-106-86(14-128(338-106)260-32-78(2)178(280)252-194(260)292)357-381(304,400)331-53-119-100(28-142(351-119)274-74-238-154-174(274)244-188(210)248-184(154)286)371-391(314,410)330-52-118-94(22-136(350-118)268-68-232-148-160(204)216-60-224-168(148)268)365-384(307,403)321-43-109-88(16-130(341-109)262-34-80(4)180(282)254-196(262)294)359-379(302,398)324-47-113-95(23-137(345-113)269-69-233-149-161(205)217-61-225-169(149)269)366-386(309,405)328-51-117-98(26-140(349-117)272-72-236-152-164(208)220-64-228-172(152)272)367-387(310,406)327-50-116-93(21-135(348-116)267-67-231-147-159(203)215-59-223-167(147)267)364-383(306,402)320-42-108-89(17-131(340-108)263-35-81(5)181(283)255-197(263)295)360-380(303,399)326-49-115-96(24-138(347-115)270-70-234-150-162(206)218-62-226-170(150)270)368-388(311,407)332-54-120-99(27-141(352-120)273-73-237-153-173(273)243-187(209)247-183(153)285)370-385(308,404)322-44-110-90(18-132(342-110)264-36-82(6)182(284)256-198(264)296)361-378(301,397)323-46-112-92(20-134(344-112)266-66-230-146-158(202)214-58-222-166(146)266)363-382(305,401)318-39-105-85(13-126(337-105)258-10-8-124(200)242-192(258)290)356-376(299,395)319-41-107-87(15-129(339-107)261-33-79(3)179(281)253-195(261)293)358-377(300,396)325-48-114-97(25-139(346-114)271-71-235-151-163(207)219-63-227-171(151)271)369-389(312,408)333-55-121-102(30-144(353-121)276-76-240-156-176(276)246-190(212)250-186(156)288)373-392(315,411)334-56-122-101(29-143(354-122)275-75-239-155-175(275)245-189(211)249-185(155)287)372-390(313,409)329-45-111-91(19-133(343-111)265-65-229-145-157(201)213-57-221-165(145)265)362-374(297,393)316-38-104-83(278)11-125(336-104)257-9-7-123(199)241-191(257)289/h7-10,31-36,57-76,83-122,125-144,277-278H,11-30,37-56H2,1-6H3,(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)(H,309,405)(H,310,406)(H,311,407)(H,312,408)(H,313,409)(H,314,410)(H,315,411)(H2,199,241,289)(H2,200,242,290)(H2,201,213,221)(H2,202,214,222)(H2,203,215,223)(H2,204,216,224)(H2,205,217,225)(H2,206,218,226)(H2,207,219,227)(H2,208,220,228)(H,251,279,291)(H,252,280,292)(H,253,281,293)(H,254,282,294)(H,255,283,295)(H,256,284,296)(H3,209,243,247,285)(H3,210,244,248,286)(H3,211,245,249,287)(H3,212,246,250,288)

InChIKey

BJVBAVSULSFUBA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133600