Atagccct

Structural Information

Molecular Formula

C₇₇H₁₀₀N₂₈O₄₉P₈

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)O)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C77H100N28O49P8/c1-32-17-101(76(113)96-69(32)107)53-9-34(106)42(140-53)19-133-156(118,119)148-35-10-54(98-6-3-50(78)91-73(98)110)141-44(35)21-134-157(120,121)149-36-11-55(99-7-4-51(79)92-74(99)111)142-45(36)22-135-158(122,123)150-37-12-56(100-8-5-52(80)93-75(100)112)143-46(37)23-136-161(128,129)154-41-16-60(105-31-90-63-68(105)94-72(83)95-71(63)109)147-49(41)26-139-162(130,131)153-40-15-59(104-30-89-62-65(82)85-28-87-67(62)104)146-48(40)25-138-159(124,125)151-38-13-57(102-18-33(2)70(108)97-77(102)114)144-47(38)24-137-160(126,127)152-39-14-58(145-43(39)20-132-155(115,116)117)103-29-88-61-64(81)84-27-86-66(61)103/h3-8,17-18,27-31,34-49,53-60,106H,9-16,19-26H2,1-2H3,(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H2,78,91,110)(H2,79,92,111)(H2,80,93,112)(H2,81,84,86)(H2,82,85,87)(H,96,107,113)(H,97,108,114)(H2,115,116,117)(H3,83,94,95,109)

InChIKey

WEDMLYMGGRGODH-UHFFFAOYSA-N

Compound name

[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]methyl [5-(6-aminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Related CIDs

• CID 16130340