Ccaattctgaaa

Structural Information

Molecular Formula

C₁₁₇H₁₄₉N₄₅O₇₁P₁₂

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=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O

InChI

InChI=1S/C117H149N45O71P12/c1-48-22-154(115(171)148-107(48)164)82-14-55(68(216-82)30-204-240(187,188)227-56-15-83(155-23-49(2)108(165)149-116(155)172)217-69(56)31-205-242(191,192)230-59-18-86(159-44-139-92-98(123)129-39-134-103(92)159)220-72(59)34-208-244(195,196)231-60-19-87(160-45-140-93-99(124)130-40-135-104(93)160)219-71(60)33-206-238(183,184)225-54-13-81(153-9-6-77(120)145-114(153)170)213-65(54)27-201-236(179,180)223-52-11-79(151-7-4-75(118)143-112(151)168)212-64(52)26-199-234(174,175)176)226-239(185,186)202-28-66-53(12-80(214-66)152-8-5-76(119)144-113(152)169)224-237(181,182)203-29-67-57(16-84(215-67)156-24-50(3)109(166)150-117(156)173)228-241(189,190)210-36-74-62(21-89(222-74)162-47-142-95-106(162)146-111(126)147-110(95)167)233-245(197,198)209-35-73-61(20-88(221-73)161-46-141-94-100(125)131-41-136-105(94)161)232-243(193,194)207-32-70-58(17-85(218-70)158-43-138-91-97(122)128-38-133-102(91)158)229-235(177,178)200-25-63-51(163)10-78(211-63)157-42-137-90-96(121)127-37-132-101(90)157/h4-9,22-24,37-47,51-74,78-89,163H,10-21,25-36H2,1-3H3,(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H2,118,143,168)(H2,119,144,169)(H2,120,145,170)(H2,121,127,132)(H2,122,128,133)(H2,123,129,134)(H2,124,130,135)(H2,125,131,136)(H,148,164,171)(H,149,165,172)(H,150,166,173)(H2,174,175,176)(H3,126,146,147,167)

InChIKey

VCVLQZGJJWUBRN-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16197359