5'-d[catcgccgatgcggg]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₄₅H₁₈₃N₅₉O₇₄P₁₄S₁₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)N6C=NC7=C(N=CN=C76)N)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=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)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=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=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=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C145H183N59O74P14S14/c1-55-28-195(144(220)188-125(55)207)98-19-63(78(256-98)36-242-289(232,303)273-65-21-100(197-47-163-107-115(151)159-45-161-117(107)197)258-80(65)38-237-280(223,294)265-58-14-93(250-72(58)30-205)190-8-3-87(146)171-139(190)215)270-285(228,299)239-33-75-61(17-96(253-75)193-11-6-90(149)174-142(193)218)268-283(226,297)245-41-83-68(24-103(261-83)201-51-167-111-121(201)178-135(155)184-129(111)211)275-287(230,301)240-34-76-59(15-94(254-76)191-9-4-88(147)172-140(191)216)266-281(224,295)238-32-74-60(16-95(252-74)192-10-5-89(148)173-141(192)217)267-282(225,296)246-42-84-70(26-105(262-84)203-53-169-113-123(203)180-137(157)186-131(113)213)277-291(234,305)244-39-81-66(22-101(259-81)198-48-164-108-116(152)160-46-162-118(108)198)274-290(233,304)243-37-79-64(20-99(257-79)196-29-56(2)126(208)189-145(196)221)271-286(229,300)248-44-86-69(25-104(264-86)202-52-168-112-122(202)179-136(156)185-130(112)212)276-288(231,302)241-35-77-62(18-97(255-77)194-12-7-91(150)175-143(194)219)269-284(227,298)247-43-85-71(27-106(263-85)204-54-170-114-124(204)181-138(158)187-132(114)214)278-292(235,306)249-40-82-67(23-102(260-82)200-50-166-110-120(200)177-134(154)183-128(110)210)272-279(222,293)236-31-73-57(206)13-92(251-73)199-49-165-109-119(199)176-133(153)182-127(109)209/h3-12,28-29,45-54,57-86,92-106,205-206H,13-27,30-44H2,1-2H3,(H,222,293)(H,223,294)(H,224,295)(H,225,296)(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)(H2,146,171,215)(H2,147,172,216)(H2,148,173,217)(H2,149,174,218)(H2,150,175,219)(H2,151,159,161)(H2,152,160,162)(H,188,207,220)(H,189,208,221)(H3,153,176,182,209)(H3,154,177,183,210)(H3,155,178,184,211)(H3,156,179,185,212)(H3,157,180,186,213)(H3,158,181,187,214)

InChIKey

YANPVBBCNNFGSA-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133550