G a t t c g t g c t c a t g g t g c a c

Structural Information

Molecular Formula

C₁₉₅H₂₄₈N₇₂O₁₂₄P₂₀

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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)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)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C195H248N72O124P20/c1-75-37-253(190(286)242-167(75)269)131-22-86(107(358-131)49-339-394(297,298)373-82-18-127(249-13-8-122(197)226-186(249)282)356-105(82)47-337-405(319,320)387-96-32-141(263-70-220-150-162(263)231-180(205)237-174(150)276)369-117(96)59-349-401(311,312)381-90-26-135(257-41-79(5)171(273)246-194(257)290)362-111(90)53-343-409(327,328)389-98-34-143(265-72-222-152-164(265)233-182(207)239-176(152)278)368-116(98)58-348-397(303,304)376-84-20-129(251-15-10-124(199)228-188(251)284)355-104(84)46-336-399(307,308)378-87-23-132(254-38-76(2)168(270)243-191(254)287)359-108(87)50-340-400(309,310)379-88-24-133(255-39-77(3)169(271)244-192(255)288)360-109(88)51-341-408(325,326)386-95-30-139(261-68-218-148-157(203)212-65-215-160(148)261)367-115(95)57-347-404(317,318)383-92-31-140(364-102(92)44-333-392(292,293)294)262-69-219-149-161(262)230-179(204)236-173(149)275)377-398(305,306)335-45-103-83(19-128(354-103)250-14-9-123(198)227-187(250)283)374-396(301,302)346-56-114-94(29-138(366-114)260-67-217-147-156(202)211-64-214-159(147)260)385-407(323,324)342-52-110-89(25-134(361-110)256-40-78(4)170(272)245-193(256)289)380-403(315,316)351-61-119-100(36-145(371-119)267-74-224-154-166(267)235-184(209)241-178(154)280)391-411(331,332)352-62-120-99(35-144(372-120)266-73-223-153-165(266)234-183(208)240-177(153)279)390-410(329,330)344-54-112-91(27-136(363-112)258-42-80(6)172(274)247-195(258)291)382-402(313,314)350-60-118-97(33-142(370-118)264-71-221-151-163(264)232-181(206)238-175(151)277)388-406(321,322)338-48-106-85(21-130(357-106)252-16-11-125(200)229-189(252)285)375-395(299,300)345-55-113-93(28-137(365-113)259-66-216-146-155(201)210-63-213-158(146)259)384-393(295,296)334-43-101-81(268)17-126(353-101)248-12-7-121(196)225-185(248)281/h7-16,37-42,63-74,81-120,126-145,268H,17-36,43-62H2,1-6H3,(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H2,196,225,281)(H2,197,226,282)(H2,198,227,283)(H2,199,228,284)(H2,200,229,285)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,242,269,286)(H,243,270,287)(H,244,271,288)(H,245,272,289)(H,246,273,290)(H,247,274,291)(H2,292,293,294)(H3,204,230,236,275)(H3,205,231,237,276)(H3,206,232,238,277)(H3,207,233,239,278)(H3,208,234,240,279)(H3,209,235,241,280)

InChIKey

RSTAZULCOQBHAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16130784