CID 16197345
Tct gct gtc cct gta ata aa
Structural Information
- Molecular Formula
- C195H249N69O123P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=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=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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=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=C(N=CN=C21)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)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C195H249N69O123P20/c1-78-38-250(189(281)238-171(78)266)136-24-91(106(355-136)46-329-388(288,289)290)374-395(303,304)333-49-109-89(22-134(352-109)248-16-11-128(199)230-187(248)279)372-393(299,300)337-53-113-93(26-138(357-113)252-40-80(3)173(268)240-191(252)283)378-399(311,312)346-62-122-102(35-147(366-122)262-75-224-155-168(262)232-181(206)235-178(155)273)385-402(317,318)335-51-111-90(23-135(354-111)249-17-12-129(200)231-188(249)280)373-394(301,302)338-54-114-95(28-140(358-114)254-42-82(5)175(270)242-193(254)285)380-401(315,316)347-63-123-103(36-148(367-123)263-76-225-156-169(263)233-182(207)236-179(156)274)386-404(321,322)340-56-116-92(25-137(360-116)251-39-79(2)172(267)239-190(251)282)375-396(305,306)334-50-110-87(20-132(353-110)246-14-9-126(197)228-185(246)277)370-391(295,296)331-47-107-86(19-131(350-107)245-13-8-125(196)227-184(245)276)369-390(293,294)332-48-108-88(21-133(351-108)247-15-10-127(198)229-186(247)278)371-392(297,298)336-52-112-94(27-139(356-112)253-41-81(4)174(269)241-192(253)284)379-400(313,314)348-64-124-104(37-149(368-124)264-77-226-157-170(264)234-183(208)237-180(157)275)387-405(323,324)341-57-117-97(30-142(361-117)256-44-84(7)177(272)244-195(256)287)377-398(309,310)343-60-120-101(34-146(364-120)261-74-223-154-162(205)213-69-218-167(154)261)384-407(327,328)345-61-121-99(32-144(365-121)259-72-221-152-160(203)211-67-216-165(152)259)382-403(319,320)339-55-115-96(29-141(359-115)255-43-83(6)176(271)243-194(255)286)376-397(307,308)342-59-119-100(33-145(363-119)260-73-222-153-161(204)212-68-217-166(153)260)383-406(325,326)344-58-118-98(31-143(362-118)258-71-220-151-159(202)210-66-215-164(151)258)381-389(291,292)330-45-105-85(265)18-130(349-105)257-70-219-150-158(201)209-65-214-163(150)257/h8-17,38-44,65-77,85-124,130-149,265H,18-37,45-64H2,1-7H3,(H,291,292)(H,293,294)(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)(H2,196,227,276)(H2,197,228,277)(H2,198,229,278)(H2,199,230,279)(H2,200,231,280)(H2,201,209,214)(H2,202,210,215)(H2,203,211,216)(H2,204,212,217)(H2,205,213,218)(H,238,266,281)(H,239,267,282)(H,240,268,283)(H,241,269,284)(H,242,270,285)(H,243,271,286)(H,244,272,287)(H2,288,289,290)(H3,206,232,235,273)(H3,207,233,236,274)(H3,208,234,237,275)
- InChIKey
- DENXWFJPTIOCNN-UHFFFAOYSA-N
- Compound name
- [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-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]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]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-(4-amino-2-oxopyrimidin-1-yl)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]oxolan-3-yl] [3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6145.0176 | 311.5 |
[M+Na]+ | 6166.9995 | 311.5 |
[M-H]- | 6143.0030 | 311.5 |
[M+NH4]+ | 6162.0441 | 311.5 |
[M+K]+ | 6182.9735 | 311.5 |
[M+H-H2O]+ | 6127.0076 | 311.5 |
[M+HCOO]- | 6189.0085 | 311.5 |
[M+CH3COO]- | 6203.0242 | 311.5 |
[M+Na-2H]- | 6164.9850 | 311.5 |
[M]+ | 6144.0098 | 311.5 |
[M]- | 6144.0108 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.