5'-dcgcacccatctctctcc-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₁₆₀H₂₀₉N₅₃O₈₆P₁₆S₁₆

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(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)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

InChI

InChI=1S/C160H209N53O86P16S16/c1-68-42-207(157(231)193-141(68)216)126-35-82(293-309(244,325)255-48-91-74(27-118(269-91)199-17-7-108(163)183-149(199)223)285-300(235,316)251-47-90-72(215)25-116(268-90)197-15-5-106(161)181-147(197)221)99(277-126)56-261-304(239,320)288-77-30-121(202-20-10-111(166)186-152(202)226)272-94(77)51-256-310(245,326)294-83-36-127(208-43-69(2)142(217)194-158(208)232)278-100(83)57-262-305(240,321)289-78-31-122(203-21-11-112(167)187-153(203)227)273-95(78)52-257-311(246,327)295-84-37-128(209-44-70(3)143(218)195-159(209)233)279-101(84)58-263-306(241,322)290-79-32-123(204-22-12-113(168)188-154(204)228)274-96(79)53-258-312(247,328)296-85-38-129(210-45-71(4)144(219)196-160(210)234)280-102(85)59-264-315(250,331)298-87-40-131(212-66-179-134-137(172)175-64-177-139(134)212)282-104(87)61-266-307(242,323)291-80-33-124(205-23-13-114(169)189-155(205)229)271-93(80)50-254-302(237,318)286-75-28-119(200-18-8-109(164)184-150(200)224)270-92(75)49-253-303(238,319)287-76-29-120(201-19-9-110(165)185-151(201)225)275-97(76)54-259-313(248,329)297-86-39-130(211-65-178-133-136(171)174-63-176-138(133)211)281-103(86)60-265-308(243,324)292-81-34-125(206-24-14-115(170)190-156(206)230)276-98(81)55-260-314(249,330)299-88-41-132(213-67-180-135-140(213)191-146(173)192-145(135)220)283-105(88)62-252-301(236,317)284-73-26-117(267-89(73)46-214)198-16-6-107(162)182-148(198)222/h5-24,42-45,63-67,72-105,116-132,214-215H,25-41,46-62H2,1-4H3,(H,235,316)(H,236,317)(H,237,318)(H,238,319)(H,239,320)(H,240,321)(H,241,322)(H,242,323)(H,243,324)(H,244,325)(H,245,326)(H,246,327)(H,247,328)(H,248,329)(H,249,330)(H,250,331)(H2,161,181,221)(H2,162,182,222)(H2,163,183,223)(H2,164,184,224)(H2,165,185,225)(H2,166,186,226)(H2,167,187,227)(H2,168,188,228)(H2,169,189,229)(H2,170,190,230)(H2,171,174,176)(H2,172,175,177)(H,193,216,231)(H,194,217,232)(H,195,218,233)(H,196,219,234)(H3,173,191,192,220)

InChIKey

VMLNJSCLSBWFEG-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16204686
• CID 16204690