Rev-10 oligonucleotide-cholesterol deriv.

Structural Information

Molecular Formula

C₁₂₄H₁₇₃N₂₉O₆₆P₁₀

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(NCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C124H173N29O66P10/c1-58(2)11-10-12-59(3)67-15-16-68-66-14-13-64-31-65(17-24-123(64,8)69(66)18-25-124(67,68)9)200-105(155)42-132-220(170,171)190-48-81-71(33-96(202-81)144-26-19-90(125)133-114(144)161)211-222(174,175)196-53-86-76(38-101(207-86)150-44-61(5)109(157)141-120(150)167)216-227(184,185)194-51-84-73(35-98(205-84)146-28-21-92(127)135-116(146)163)213-223(176,177)192-50-83-75(37-100(204-83)148-30-23-94(129)137-118(148)165)215-225(180,181)199-56-89-79(41-104(210-89)153-57-131-106-107(153)138-113(130)139-112(106)160)219-229(188,189)195-52-85-74(36-99(206-85)147-29-22-93(128)136-117(147)164)214-224(178,179)197-54-87-78(40-103(208-87)152-46-63(7)111(159)143-122(152)169)218-228(186,187)198-55-88-77(39-102(209-88)151-45-62(6)110(158)142-121(151)168)217-226(182,183)193-49-82-72(34-97(203-82)145-27-20-91(126)134-115(145)162)212-221(172,173)191-47-80-70(154)32-95(201-80)149-43-60(4)108(156)140-119(149)166/h13,19-23,26-30,43-46,57-59,65-89,95-104,154H,10-12,14-18,24-25,31-42,47-56H2,1-9H3,(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H,182,183)(H,184,185)(H,186,187)(H,188,189)(H2,125,133,161)(H2,126,134,162)(H2,127,135,163)(H2,128,136,164)(H2,129,137,165)(H2,132,170,171)(H,140,156,166)(H,141,157,167)(H,142,158,168)(H,143,159,169)(H3,130,138,139,160)

InChIKey

KTDABVVHTIMVRU-UHFFFAOYSA-N

Compound name

[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-[2-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-2-oxoethyl]phosphonamidic acid

Related CIDs

• CID 16130391