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

Structural Information

Molecular Formula

C₁₄₇H₁₈₃N₆₃O₇₂P₁₄S₁₄

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(=O)(OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)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=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=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C147H183N63O72P14S14/c1-55-24-199(146(224)194-129(55)213)93-13-61(272-287(230,301)246-32-78-64(16-96(260-78)202-46-170-106-116(152)162-42-166-120(106)202)276-291(234,305)247-33-79-65(17-97(261-79)203-47-171-107-117(153)163-43-167-121(107)203)277-292(235,306)252-40-86-71(23-104(268-86)210-54-178-114-128(210)187-142(160)193-136(114)220)282-296(239,310)253-37-83-67(19-100(265-83)206-50-174-110-124(206)183-138(156)189-132(110)216)274-283(226,297)240-27-73-57(212)9-90(255-73)196-6-3-87(148)179-143(196)221)76(258-93)30-244-286(229,300)271-60-12-92(198-8-5-89(150)181-145(198)223)256-74(60)28-242-285(228,299)270-59-11-91(197-7-4-88(149)180-144(197)222)257-75(59)29-243-289(232,303)279-69-21-102(208-52-176-112-126(208)185-140(158)191-134(112)218)266-84(69)38-250-288(231,302)273-62-14-94(200-25-56(2)130(214)195-147(200)225)259-77(62)31-245-290(233,304)275-63-15-95(201-45-169-105-115(151)161-41-165-119(105)201)262-80(63)34-249-295(238,309)281-70-22-103(209-53-177-113-127(209)186-141(159)192-135(113)219)267-85(70)39-251-293(236,307)278-66-18-98(204-48-172-108-118(154)164-44-168-122(108)204)263-81(66)35-248-294(237,308)280-68-20-101(207-51-175-111-125(207)184-139(157)190-133(111)217)264-82(68)36-241-284(227,298)269-58-10-99(254-72(58)26-211)205-49-173-109-123(205)182-137(155)188-131(109)215/h3-8,24-25,41-54,57-86,90-104,211-212H,9-23,26-40H2,1-2H3,(H,226,297)(H,227,298)(H,228,299)(H,229,300)(H,230,301)(H,231,302)(H,232,303)(H,233,304)(H,234,305)(H,235,306)(H,236,307)(H,237,308)(H,238,309)(H,239,310)(H2,148,179,221)(H2,149,180,222)(H2,150,181,223)(H2,151,161,165)(H2,152,162,166)(H2,153,163,167)(H2,154,164,168)(H,194,213,224)(H,195,214,225)(H3,155,182,188,215)(H3,156,183,189,216)(H3,157,184,190,217)(H3,158,185,191,218)(H3,159,186,192,219)(H3,160,187,193,220)

InChIKey

VDQPISOTVUNWPM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16132019