5'-ggacuucggucc-3'

Structural Information

Molecular Formula

C₁₁₃H₁₄₂N₄₃O₈₄P₁₁

SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)COP(=O)(O)OC5C(OC(C5O)N6C=CC(=O)NC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=NC9=C8N=C(NC9=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)CO)O)O

InChI

InChI=1S/C113H142N43O84P11/c114-45-1-8-145(107(178)130-45)91-58(162)57(161)34(219-91)16-207-241(185,186)231-71-35(220-92(60(71)164)146-9-2-46(115)131-108(146)179)17-209-244(191,192)235-76-40(225-97(65(76)169)151-14-7-51(160)136-113(151)184)22-214-249(201,202)238-79-44(229-101(68(79)172)155-31-128-55-85(155)139-105(121)143-89(55)176)26-217-251(205,206)240-80-43(228-102(69(80)173)156-32-129-56-86(156)140-106(122)144-90(56)177)25-216-247(197,198)233-73-36(221-94(62(73)166)148-11-4-48(117)133-110(148)181)18-210-245(193,194)234-74-39(224-95(63(74)167)149-12-5-49(158)134-111(149)182)21-212-246(195,196)236-75-38(223-96(64(75)168)150-13-6-50(159)135-112(150)183)20-211-243(189,190)232-72-37(222-93(61(72)165)147-10-3-47(116)132-109(147)180)19-213-248(199,200)237-77-41(226-98(66(77)170)152-28-125-52-81(118)123-27-124-82(52)152)23-215-250(203,204)239-78-42(227-100(67(78)171)154-30-127-54-84(154)138-104(120)142-88(54)175)24-208-242(187,188)230-70-33(15-157)218-99(59(70)163)153-29-126-53-83(153)137-103(119)141-87(53)174/h1-14,27-44,57-80,91-102,157,161-173H,15-26H2,(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)(H,203,204)(H,205,206)(H2,114,130,178)(H2,115,131,179)(H2,116,132,180)(H2,117,133,181)(H2,118,123,124)(H,134,158,182)(H,135,159,183)(H,136,160,184)(H3,119,137,141,174)(H3,120,138,142,175)(H3,121,139,143,176)(H3,122,140,144,177)

InChIKey

RRLUELWQHYJIMR-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)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-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 16131969