Ctgtaccg

Structural Information

Molecular Formula

C₇₇H₁₀₀N₂₈O₅₀P₈

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C77H100N28O50P8/c1-31-17-101(76(114)96-67(31)107)56-13-37(45(145-56)23-137-158(121,122)149-34-10-53(98-6-3-49(78)89-73(98)111)142-42(34)20-133-156(116,117)118)153-161(127,128)140-26-48-40(16-59(148-48)105-30-88-62-66(105)93-72(83)95-70(62)110)155-163(131,132)138-24-46-38(14-57(146-46)102-18-32(2)68(108)97-77(102)115)152-160(125,126)139-25-47-39(15-58(147-47)103-28-86-60-63(81)84-27-85-64(60)103)154-162(129,130)136-22-44-36(12-55(144-44)100-8-5-51(80)91-75(100)113)151-159(123,124)135-21-43-35(11-54(143-43)99-7-4-50(79)90-74(99)112)150-157(119,120)134-19-41-33(106)9-52(141-41)104-29-87-61-65(104)92-71(82)94-69(61)109/h3-8,17-18,27-30,33-48,52-59,106H,9-16,19-26H2,1-2H3,(H,119,120)(H,121,122)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H2,78,89,111)(H2,79,90,112)(H2,80,91,113)(H2,81,84,85)(H,96,107,114)(H,97,108,115)(H2,116,117,118)(H3,82,92,94,109)(H3,83,93,95,110)

InChIKey

QDKTVOVYWGVYSR-UHFFFAOYSA-N

Compound name

[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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-(6-aminopurin-9-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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16130338