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

Structural Information

Molecular Formula

C₁₅₇H₁₉₈N₅₉O₈₁P₁₅S₁₅

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=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(=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=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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(=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)O)S

InChI

InChI=1S/C157H198N59O81P15S15/c1-60-28-204(153(232)196-135(60)219)104-16-69(85(271-104)37-253-299(238,314)283-66-13-101(267-81(66)33-217)201-9-6-97(158)183-150(201)229)287-303(242,318)256-39-87-72(19-107(273-87)207-31-63(4)138(222)199-156(207)235)290-306(245,321)264-46-94-76(23-111(280-94)212-55-178-119-130(212)186-145(164)191-140(119)224)293-307(246,322)255-36-84-68(15-103(270-84)203-11-8-99(160)185-152(203)231)285-301(240,316)263-45-93-78(25-113(279-93)214-57-180-121-132(214)188-147(166)193-142(121)226)296-311(250,326)265-47-95-77(24-112(281-95)213-56-179-120-131(213)187-146(165)192-141(120)225)294-309(248,324)259-41-89-73(20-108(275-89)208-32-64(5)139(223)200-157(208)236)289-305(244,320)260-43-91-75(22-110(277-91)211-54-177-118-126(163)171-51-174-129(118)211)292-308(247,323)258-40-88-71(18-106(274-88)206-30-62(3)137(221)198-155(206)234)288-304(243,319)257-38-86-70(17-105(272-86)205-29-61(2)136(220)197-154(205)233)286-302(241,317)254-35-83-67(14-102(269-83)202-10-7-98(159)184-151(202)230)284-300(239,315)262-44-92-79(26-114(278-92)215-58-181-122-133(215)189-148(167)194-143(122)227)297-312(251,327)266-48-96-80(27-115(282-96)216-59-182-123-134(216)190-149(168)195-144(123)228)295-310(249,325)261-42-90-74(21-109(276-90)210-53-176-117-125(162)170-50-173-128(117)210)291-298(237,313)252-34-82-65(218)12-100(268-82)209-52-175-116-124(161)169-49-172-127(116)209/h6-11,28-32,49-59,65-96,100-115,217-218H,12-27,33-48H2,1-5H3,(H,237,313)(H,238,314)(H,239,315)(H,240,316)(H,241,317)(H,242,318)(H,243,319)(H,244,320)(H,245,321)(H,246,322)(H,247,323)(H,248,324)(H,249,325)(H,250,326)(H,251,327)(H2,158,183,229)(H2,159,184,230)(H2,160,185,231)(H2,161,169,172)(H2,162,170,173)(H2,163,171,174)(H,196,219,232)(H,197,220,233)(H,198,221,234)(H,199,222,235)(H,200,223,236)(H3,164,186,191,224)(H3,165,187,192,225)(H3,166,188,193,226)(H3,167,189,194,227)(H3,168,190,195,228)

InChIKey

OMIPRXUELKEIHF-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133602