CID 16197353
Tac tac tta ctg ctt tga ta
Structural Information
- Molecular Formula
- C196H251N65O125P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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=C(N=CN=C21)N)O
- InChI
- InChI=1S/C196H251N65O125P20/c1-79-38-246(188(278)233-171(79)263)137-23-93(109(353-137)48-328-387(287,288)289)372-393(300,301)342-61-122-102(32-146(362-122)256-73-219-153-160(202)209-68-214-165(153)256)381-401(316,317)330-49-110-90(20-134(349-110)243-15-11-129(198)226-185(243)275)369-391(296,297)336-56-117-98(28-142(357-117)251-43-84(6)176(268)238-193(251)283)377-397(308,309)343-62-123-103(33-147(363-123)257-74-220-154-161(203)210-69-215-166(154)257)382-402(318,319)331-50-111-89(19-133(350-111)242-14-10-128(197)225-184(242)274)368-389(292,293)334-54-115-96(26-140(355-115)249-41-82(4)174(266)236-191(249)281)375-395(304,305)339-59-120-100(30-144(360-120)253-45-86(8)178(270)240-195(253)285)378-398(310,311)344-63-124-104(34-148(364-124)258-75-221-155-162(204)211-70-216-167(155)258)383-403(320,321)332-51-112-91(21-135(351-112)244-16-12-130(199)227-186(244)276)370-392(298,299)337-57-118-99(29-143(358-118)252-44-85(7)177(269)239-194(252)284)379-399(312,313)346-65-126-106(36-150(366-126)260-77-223-157-169(260)229-182(206)231-180(157)272)385-404(322,323)333-52-113-92(22-136(352-113)245-17-13-131(200)228-187(245)277)371-390(294,295)335-55-116-95(25-139(356-116)248-40-81(3)173(265)235-190(248)280)374-394(302,303)338-58-119-97(27-141(359-119)250-42-83(5)175(267)237-192(250)282)376-396(306,307)340-60-121-101(31-145(361-121)254-46-87(9)179(271)241-196(254)286)380-400(314,315)347-66-127-107(37-151(367-127)261-78-224-158-170(261)230-183(207)232-181(158)273)386-406(326,327)345-64-125-105(35-149(365-125)259-76-222-156-163(205)212-71-217-168(156)259)384-405(324,325)341-53-114-94(24-138(354-114)247-39-80(2)172(264)234-189(247)279)373-388(290,291)329-47-108-88(262)18-132(348-108)255-72-218-152-159(201)208-67-213-164(152)255/h10-17,38-46,67-78,88-127,132-151,262H,18-37,47-66H2,1-9H3,(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)(H,324,325)(H,326,327)(H2,197,225,274)(H2,198,226,275)(H2,199,227,276)(H2,200,228,277)(H2,201,208,213)(H2,202,209,214)(H2,203,210,215)(H2,204,211,216)(H2,205,212,217)(H,233,263,278)(H,234,264,279)(H,235,265,280)(H,236,266,281)(H,237,267,282)(H,238,268,283)(H,239,269,284)(H,240,270,285)(H,241,271,286)(H2,287,288,289)(H3,206,229,231,272)(H3,207,230,232,273)
- InChIKey
- LRJJIAQMWOKJSI-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(6-aminopurin-9-yl)-2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]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]-5-(6-aminopurin-9-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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-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-(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] [5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6135.0107 | 311.5 |
[M+Na]+ | 6156.9926 | 311.5 |
[M-H]- | 6132.9961 | 311.5 |
[M+NH4]+ | 6152.0372 | 311.5 |
[M+K]+ | 6172.9666 | 311.5 |
[M+H-H2O]+ | 6117.0007 | 311.5 |
[M+HCOO]- | 6179.0016 | 311.5 |
[M+CH3COO]- | 6193.0173 | 311.5 |
[M+Na-2H]- | 6154.9781 | 311.5 |
[M]+ | 6134.0029 | 311.5 |
[M]- | 6134.0039 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.