Monopalmitoyl propylene diamine conjugated disonucleotide(p-ctccgcttct)

Structural Information

Molecular Formula

C₁₁₄H₁₆₄N₃₀O₆₅P₁₀

SMILES

CCCCCCCCCCCCCCCC(=O)NCCCNP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)O

InChI

InChI=1S/C114H164N30O65P10/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-87(146)121-26-19-27-123-210(161,162)181-48-73-63(34-89(192-73)135-28-21-82(115)124-106(135)152)201-212(165,166)187-53-78-68(39-94(197-78)141-44-59(3)101(148)132-112(141)158)206-217(175,176)185-51-76-65(36-91(195-76)137-30-23-84(117)126-108(137)154)203-213(167,168)183-50-75-67(38-93(194-75)139-32-25-86(119)128-110(139)156)205-215(171,172)190-56-81-71(42-97(200-81)144-57-122-98-99(144)129-105(120)130-104(98)151)209-219(179,180)186-52-77-66(37-92(196-77)138-31-24-85(118)127-109(138)155)204-214(169,170)188-54-79-70(41-96(198-79)143-46-61(5)103(150)134-114(143)160)208-218(177,178)189-55-80-69(40-95(199-80)142-45-60(4)102(149)133-113(142)159)207-216(173,174)184-49-74-64(35-90(193-74)136-29-22-83(116)125-107(136)153)202-211(163,164)182-47-72-62(145)33-88(191-72)140-43-58(2)100(147)131-111(140)157/h21-25,28-32,43-46,57,62-81,88-97,145H,6-20,26-27,33-42,47-56H2,1-5H3,(H,121,146)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H2,115,124,152)(H2,116,125,153)(H2,117,126,154)(H2,118,127,155)(H2,119,128,156)(H2,123,161,162)(H,131,147,157)(H,132,148,158)(H,133,149,159)(H,134,150,160)(H3,120,129,130,151)

InChIKey

UFLOJVJKDATHKZ-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-[3-(hexadecanoylamino)propyl]phosphonamidic acid

Related CIDs

• CID 16130390