5'ggacuucggucc-3'

Structural Information

Molecular Formula

C₁₁₃H₁₄₂N₄₃O₈₀P₁₁

SMILES

C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4C(OC(C4O)N5C=CC(=NC5=O)N)COP(=O)(O)OC6C(OC(C6O)N7C=NC8=C(N=CN=C87)N)COP(=O)(O)OC9C(OC(C9O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)CO)N1C=CC(=O)NC1=O)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)O

InChI

InChI=1S/C113H142N43O80P11/c114-53-1-8-145(107(174)130-53)60-15-37(226-239(185,186)205-22-45-40(18-63(217-45)152-32-126-65-87(152)137-103(119)141-91(65)170)229-240(187,188)208-25-50-83(76(168)101(224-50)155-35-128-67-89(155)139-105(121)143-93(67)172)235-246(199,200)212-28-49-81(74(166)98(222-49)151-14-7-59(160)136-113(151)180)233-244(195,196)210-27-48-80(73(165)97(221-48)150-11-4-56(117)133-110(150)177)232-242(191,192)207-24-46-69(161)70(162)95(219-46)148-9-2-54(115)131-108(148)175)42(214-60)20-203-237(181,182)227-38-16-61(146-12-5-57(158)134-111(146)178)215-43(38)21-204-238(183,184)228-39-17-62(147-13-6-58(159)135-112(147)179)216-44(39)23-206-241(189,190)231-79-47(220-96(72(79)164)149-10-3-55(116)132-109(149)176)26-211-245(197,198)234-82-51(223-99(75(82)167)153-33-125-64-85(118)123-31-124-86(64)153)29-213-247(201,202)236-84-52(225-102(77(84)169)156-36-129-68-90(156)140-106(122)144-94(68)173)30-209-243(193,194)230-78-41(19-157)218-100(71(78)163)154-34-127-66-88(154)138-104(120)142-92(66)171/h1-14,31-52,60-63,69-84,95-102,157,161-169H,15-30H2,(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)(H,199,200)(H,201,202)(H2,114,130,174)(H2,115,131,175)(H2,116,132,176)(H2,117,133,177)(H2,118,123,124)(H,134,158,178)(H,135,159,179)(H,136,160,180)(H3,119,137,141,170)(H3,120,138,142,171)(H3,121,139,143,172)(H3,122,140,144,173)

InChIKey

FDUNZPWFWGRHOM-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16131973