CID 16204625
5'-ctttccccgagtaagcacaa-3'
Structural Information
- Molecular Formula
- C193H246N74O99P20S20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)O)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=S)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=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=NC2=C(N=CN=C21)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=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=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O)S
- InChI
- InChI=1S/C193H246N74O99P20S20/c1-78-39-255(190(283)244-173(78)269)137-27-90(111(337-137)52-317-378(299,398)357-92-29-139(257-41-80(3)175(271)246-192(257)285)338-112(92)53-318-377(298,397)356-91-28-138(256-40-79(2)174(270)245-191(256)284)336-110(91)51-316-369(290,389)348-83-20-130(248-12-5-122(194)231-183(248)276)329-103(83)44-308-367(287,288)387)355-376(297,396)313-48-107-86(23-133(333-107)251-15-8-125(197)234-186(251)279)351-372(293,392)311-46-105-84(21-131(331-105)249-13-6-123(195)232-184(249)277)349-370(291,390)310-45-104-85(22-132(330-104)250-14-7-124(196)233-185(250)278)350-371(292,391)312-47-106-87(24-134(332-106)252-16-9-126(198)235-187(252)280)354-375(296,395)325-60-119-101(38-148(345-119)267-77-230-157-172(267)240-182(209)243-179(157)275)366-386(307,406)324-59-118-98(35-145(344-118)264-74-227-154-163(206)215-68-221-169(154)264)363-385(306,405)327-62-121-100(37-147(347-121)266-76-229-156-171(266)239-181(208)242-178(156)274)365-382(303,402)319-54-113-93(30-140(339-113)258-42-81(4)176(272)247-193(258)286)358-379(300,399)322-57-116-96(33-143(342-116)262-72-225-152-161(204)213-66-219-167(152)262)361-383(304,403)323-58-117-97(34-144(343-117)263-73-226-153-162(205)214-67-220-168(153)263)362-384(305,404)326-61-120-99(36-146(346-120)265-75-228-155-170(265)238-180(207)241-177(155)273)364-381(302,401)315-50-109-89(26-136(335-109)254-18-11-128(200)237-189(254)282)353-374(295,394)321-56-115-95(32-142(341-115)261-71-224-151-160(203)212-65-218-166(151)261)360-380(301,400)314-49-108-88(25-135(334-108)253-17-10-127(199)236-188(253)281)352-373(294,393)320-55-114-94(31-141(340-114)260-70-223-150-159(202)211-64-217-165(150)260)359-368(289,388)309-43-102-82(268)19-129(328-102)259-69-222-149-158(201)210-63-216-164(149)259/h5-18,39-42,63-77,82-121,129-148,268H,19-38,43-62H2,1-4H3,(H,289,388)(H,290,389)(H,291,390)(H,292,391)(H,293,392)(H,294,393)(H,295,394)(H,296,395)(H,297,396)(H,298,397)(H,299,398)(H,300,399)(H,301,400)(H,302,401)(H,303,402)(H,304,403)(H,305,404)(H,306,405)(H,307,406)(H2,194,231,276)(H2,195,232,277)(H2,196,233,278)(H2,197,234,279)(H2,198,235,280)(H2,199,236,281)(H2,200,237,282)(H2,201,210,216)(H2,202,211,217)(H2,203,212,218)(H2,204,213,219)(H2,205,214,220)(H2,206,215,221)(H,244,269,283)(H,245,270,284)(H,246,271,285)(H,247,272,286)(H2,287,288,387)(H3,207,238,241,273)(H3,208,239,242,274)(H3,209,240,243,275)
- InChIKey
- VSRLUBWSXGRJGH-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-5-(6-aminopurin-9-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-(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-(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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)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]+ | 6443.5727 | 311.5 |
[M+Na]+ | 6465.5546 | 311.5 |
[M-H]- | 6441.5581 | 311.5 |
[M+NH4]+ | 6460.5992 | 311.5 |
[M+K]+ | 6481.5286 | 311.5 |
[M+H-H2O]+ | 6425.5627 | 311.5 |
[M+HCOO]- | 6487.5636 | 311.5 |
[M+CH3COO]- | 6501.5793 | 311.5 |
[M+Na-2H]- | 6463.5401 | 311.5 |
[M]+ | 6442.5649 | 311.5 |
[M]- | 6442.5659 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.