CID 16133903
5'-gcgtactcaccagtcgccgc-3'
Structural Information
- Molecular Formula
- C191H244N73O99P19S19
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8CO)N9C=NC1=C9N=C(NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C191H244N73O99P19S19/c1-76-42-254(189(284)242-167(76)267)137-32-89(109(335-137)55-315-368(291,387)348-84-27-132(249-17-8-123(196)227-184(249)279)333-107(84)53-313-378(301,397)359-93-36-141(258-69-216-149-157(202)210-66-213-160(149)258)340-114(93)60-320-376(299,395)356-91-34-139(256-44-78(3)169(269)244-191(256)286)337-111(91)57-317-380(303,399)362-97-40-146(263-74-221-154-165(263)235-178(207)240-173(154)273)343-117(97)63-322-372(295,391)349-81-24-129(246-14-5-120(193)224-181(246)276)327-101(81)47-307-365(288,384)345-80-23-143(325-99(80)45-265)260-71-218-151-162(260)232-175(204)237-170(151)270)354-374(297,393)310-50-104-87(30-135(330-104)252-20-11-126(199)230-187(252)282)351-370(293,389)318-58-112-92(35-140(338-112)257-68-215-148-156(201)209-65-212-159(148)257)358-377(300,396)312-52-106-82(25-130(332-106)247-15-6-121(194)225-182(247)277)346-366(289,385)308-48-102-85(28-133(328-102)250-18-9-124(197)228-185(250)280)350-369(292,388)319-59-113-94(37-142(339-113)259-70-217-150-158(203)211-67-214-161(150)259)360-382(305,401)324-64-118-98(41-147(344-118)264-75-222-155-166(264)236-179(208)241-174(155)274)363-381(304,400)316-56-110-90(33-138(336-110)255-43-77(2)168(268)243-190(255)285)355-375(298,394)311-51-105-88(31-136(331-105)253-21-12-127(200)231-188(253)283)353-373(296,392)323-62-116-96(39-145(342-116)262-73-220-153-164(262)234-177(206)239-172(153)272)361-379(302,398)314-54-108-83(26-131(334-108)248-16-7-122(195)226-183(248)278)347-367(290,386)309-49-103-86(29-134(329-103)251-19-10-125(198)229-186(251)281)352-371(294,390)321-61-115-95(38-144(341-115)261-72-219-152-163(261)233-176(205)238-171(152)271)357-364(287,383)306-46-100-79(266)22-128(326-100)245-13-4-119(192)223-180(245)275/h4-21,42-44,65-75,79-118,128-147,265-266H,22-41,45-64H2,1-3H3,(H,287,383)(H,288,384)(H,289,385)(H,290,386)(H,291,387)(H,292,388)(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H2,192,223,275)(H2,193,224,276)(H2,194,225,277)(H2,195,226,278)(H2,196,227,279)(H2,197,228,280)(H2,198,229,281)(H2,199,230,282)(H2,200,231,283)(H2,201,209,212)(H2,202,210,213)(H2,203,211,214)(H,242,267,284)(H,243,268,285)(H,244,269,286)(H3,204,232,237,270)(H3,205,233,238,271)(H3,206,234,239,272)(H3,207,235,240,273)(H3,208,236,241,274)
- InChIKey
- QLXZOYOMGIGMAB-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6340.6083 | 311.5 |
[M+Na]+ | 6362.5902 | 311.5 |
[M-H]- | 6338.5937 | 311.5 |
[M+NH4]+ | 6357.6348 | 311.5 |
[M+K]+ | 6378.5642 | 311.5 |
[M+H-H2O]+ | 6322.5983 | 311.5 |
[M+HCOO]- | 6384.5992 | 311.5 |
[M+CH3COO]- | 6398.6149 | 311.5 |
[M+Na-2H]- | 6360.5757 | 311.5 |
[M]+ | 6339.6005 | 311.5 |
[M]- | 6339.6015 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.