5'-d(ggggttggtgtacagtggatgg)-3', phosphorothioate oligodeoxynucleotide (22 mer)

Structural Information

Molecular Formula

C₂₁₉H₂₇₁N₉₀O₁₁₂P₂₁S₂₁

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=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)S)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=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=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=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=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=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)O

InChI

InChI=1S/C219H271N90O112P21S21/c1-77-31-289(214(331)282-183(77)312)130-12-86(110(384-130)42-363-434(349,455)415-99-25-144(304-71-251-159-177(304)264-207(230)276-195(159)324)398-124(99)56-377-442(357,463)421-104-30-149(309-76-256-164-182(309)269-212(235)281-200(164)329)400-126(104)58-375-439(354,460)417-96-22-141(301-68-248-156-174(301)261-204(227)273-192(156)321)391-117(96)49-359-423(338,444)401-84-10-139(379-105(84)37-310)299-66-246-154-172(299)259-202(225)271-190(154)319)403-425(340,446)361-40-108-87(13-131(382-108)290-32-78(2)184(313)283-215(290)332)405-428(343,449)372-52-120-101(27-146(394-120)306-73-253-161-179(306)266-209(232)278-197(161)326)419-440(355,461)376-55-123-100(26-145(397-123)305-72-252-160-178(305)265-208(231)277-196(160)325)416-436(351,457)366-45-113-90(16-134(387-113)293-35-81(5)187(316)286-218(293)335)407-429(344,450)371-51-119-97(23-142(393-119)302-69-249-157-175(302)262-205(228)274-193(157)322)413-433(348,454)364-43-111-88(14-132(385-111)291-33-79(3)185(314)284-216(291)333)404-426(341,447)368-47-115-92(18-136(389-115)295-62-242-150-165(221)236-59-239-168(150)295)410-431(346,452)360-39-107-85(11-129(381-107)288-8-7-127(220)257-213(288)330)402-424(339,445)367-46-114-94(20-138(388-114)297-64-244-152-167(223)238-61-241-170(152)297)412-437(352,458)374-54-122-98(24-143(396-122)303-70-250-158-176(303)263-206(229)275-194(158)323)414-435(350,456)365-44-112-91(17-135(386-112)294-36-82(6)188(317)287-219(294)336)408-430(345,451)373-53-121-102(28-147(395-121)307-74-254-162-180(307)267-210(233)279-198(162)327)420-441(356,462)378-57-125-103(29-148(399-125)308-75-255-163-181(308)268-211(234)280-199(163)328)418-438(353,459)369-48-116-93(19-137(390-116)296-63-243-151-166(222)237-60-240-169(151)296)411-432(347,453)362-41-109-89(15-133(383-109)292-34-80(4)186(315)285-217(292)334)406-427(342,448)370-50-118-95(21-140(392-118)300-67-247-155-173(300)260-203(226)272-191(155)320)409-422(337,443)358-38-106-83(311)9-128(380-106)298-65-245-153-171(298)258-201(224)270-189(153)318/h7-8,31-36,59-76,83-126,128-149,310-311H,9-30,37-58H2,1-6H3,(H,337,443)(H,338,444)(H,339,445)(H,340,446)(H,341,447)(H,342,448)(H,343,449)(H,344,450)(H,345,451)(H,346,452)(H,347,453)(H,348,454)(H,349,455)(H,350,456)(H,351,457)(H,352,458)(H,353,459)(H,354,460)(H,355,461)(H,356,462)(H,357,463)(H2,220,257,330)(H2,221,236,239)(H2,222,237,240)(H2,223,238,241)(H,282,312,331)(H,283,313,332)(H,284,314,333)(H,285,315,334)(H,286,316,335)(H,287,317,336)(H3,224,258,270,318)(H3,225,259,271,319)(H3,226,260,272,320)(H3,227,261,273,321)(H3,228,262,274,322)(H3,229,263,275,323)(H3,230,264,276,324)(H3,231,265,277,325)(H3,232,266,278,326)(H3,233,267,279,327)(H3,234,268,280,328)(H3,235,269,281,329)

InChIKey

SIPSOAJGONITRC-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-[[3-[[3-[[3-[[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-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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-(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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-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-sulfanylphosphoryl]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 16134048