Sirna tcr-.beta.

Structural Information

Molecular Formula

C₁₇₉H₂₂₃N₆₇O₁₃₂P₁₈

SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=CC(=O)NC4=O)COP(=O)(O)OC5C(OC(C5O)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)OC8C(OC(C8O)N9C=NC1=C9N=C(NC1=O)N)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=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)CO)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=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=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)O)O

InChI

InChI=1S/C179H223N67O132P18/c180-74-1-12-228(169(277)211-74)148-96(257)114(57(344-148)26-327-385(300,301)369-121-66(353-155(103(121)264)235-19-8-81(250)218-176(235)284)34-336-394(318,319)376-128-71(358-162(110(128)271)243-51-207-89-135(189)197-46-202-140(89)243)39-340-396(322,323)378-130-73(360-165(112(130)273)246-54-210-92-143(246)224-168(192)227-146(92)276)41-341-390(310,311)372-124-64(351-158(106(124)267)238-22-11-84(253)221-179(238)287)32-330-383(296,297)365-116-61(348-150(98(116)259)230-14-3-76(182)213-171(230)279)29-333-395(320,321)377-129-72(359-164(111(129)272)245-53-209-91-142(245)223-167(191)226-145(91)275)40-325-380(290,291)361-113-55(23-247)342-163(95(113)256)244-52-208-90-141(244)222-166(190)225-144(90)274)363-381(292,293)326-25-58-117(99(260)151(345-58)231-15-4-77(183)214-172(231)280)366-387(304,305)338-37-69-127(109(270)161(356-69)242-50-206-88-134(188)196-45-201-139(88)242)375-393(316,317)335-35-67-122(104(265)156(354-67)236-20-9-82(251)219-177(236)285)370-386(302,303)331-33-65-123(105(266)157(352-65)237-21-10-83(252)220-178(237)286)371-389(308,309)339-38-70-125(107(268)159(357-70)240-48-204-86-132(186)194-43-199-137(86)240)373-391(312,313)332-28-60-115(97(258)149(347-60)229-13-2-75(181)212-170(229)278)364-382(294,295)329-31-63-120(102(263)154(350-63)234-18-7-80(249)217-175(234)283)368-384(298,299)328-27-59-118(100(261)152(346-59)232-16-5-78(184)215-173(232)281)367-388(306,307)337-36-68-126(108(269)160(355-68)241-49-205-87-133(187)195-44-200-138(87)241)374-392(314,315)334-30-62-119(101(262)153(349-62)233-17-6-79(248)216-174(233)282)362-379(288,289)324-24-56-93(254)94(255)147(343-56)239-47-203-85-131(185)193-42-198-136(85)239/h1-22,42-73,93-130,147-165,247,254-273H,23-41H2,(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H2,180,211,277)(H2,181,212,278)(H2,182,213,279)(H2,183,214,280)(H2,184,215,281)(H2,185,193,198)(H2,186,194,199)(H2,187,195,200)(H2,188,196,201)(H2,189,197,202)(H,216,248,282)(H,217,249,283)(H,218,250,284)(H,219,251,285)(H,220,252,286)(H,221,253,287)(H3,190,222,225,274)(H3,191,223,226,275)(H3,192,224,227,276)

InChIKey

CIIGBKYVQJZXRW-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16132005