CID 16204619
5'-gcgtcttcattgtgcgagca -3'
Structural Information
- Molecular Formula
- C195H248N72O104P20S20
- 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)O)N8C=NC9=C8N=C(NC9=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=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=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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=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=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O)S
- InChI
- InChI=1S/C195H248N72O104P20S20/c1-75-37-253(190(286)242-167(75)269)132-23-87(109(340-132)51-321-380(301,400)360-89-25-134(255-39-77(3)169(271)244-192(255)288)339-108(89)50-320-374(295,394)354-83-19-128(249-13-8-122(197)226-186(249)282)335-104(83)46-315-379(300,399)359-88-24-133(254-38-76(2)168(270)243-191(254)287)343-112(88)54-324-388(309,408)369-98-34-143(265-72-222-152-164(265)233-182(207)239-176(152)278)348-116(98)58-328-376(297,396)356-85-21-130(251-15-10-124(199)228-188(251)284)337-106(85)48-317-384(305,404)364-93-31-140(345-102(93)44-313-372(292,293)392)262-69-219-149-161(262)230-179(204)236-173(149)275)358-378(299,398)316-47-105-84(20-129(336-105)250-14-9-123(198)227-187(250)283)355-375(296,395)326-56-114-94(29-138(346-114)260-67-217-147-156(202)211-64-214-159(147)260)365-387(308,407)323-53-111-90(26-135(342-111)256-40-78(4)170(272)245-193(256)289)361-381(302,401)322-52-110-91(27-136(341-110)257-41-79(5)171(273)246-194(257)290)362-382(303,402)331-61-119-99(35-144(351-119)266-73-223-153-165(266)234-183(208)240-177(153)279)370-389(310,409)325-55-113-92(28-137(344-113)258-42-80(6)172(274)247-195(258)291)363-383(304,403)330-60-118-96(32-141(350-118)263-70-220-150-162(263)231-180(205)237-174(150)276)367-386(307,406)319-49-107-86(22-131(338-107)252-16-11-125(200)229-189(252)285)357-377(298,397)329-59-117-100(36-145(349-117)267-74-224-154-166(267)235-184(209)241-178(154)280)371-391(312,411)327-57-115-95(30-139(347-115)261-68-218-148-157(203)212-65-215-160(148)261)366-390(311,410)332-62-120-97(33-142(352-120)264-71-221-151-163(264)232-181(206)238-175(151)277)368-385(306,405)318-45-103-82(18-127(334-103)248-12-7-121(196)225-185(248)281)353-373(294,393)314-43-101-81(268)17-126(333-101)259-66-216-146-155(201)210-63-213-158(146)259/h7-16,37-42,63-74,81-120,126-145,268H,17-36,43-62H2,1-6H3,(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)(H,308,407)(H,309,408)(H,310,409)(H,311,410)(H,312,411)(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)(H2,292,293,392)(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
- NVBQWESNWALIGE-UHFFFAOYSA-N
- Compound name
- 1-[4-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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]oxyoxolan-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-(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-(6-aminopurin-9-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-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(dihydroxyphosphinothioyloxymethyl)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-(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]+ | 6521.5573 | 311.5 |
[M+Na]+ | 6543.5392 | 311.5 |
[M-H]- | 6519.5427 | 311.5 |
[M+NH4]+ | 6538.5838 | 311.5 |
[M+K]+ | 6559.5132 | 311.5 |
[M+H-H2O]+ | 6503.5473 | 311.5 |
[M+HCOO]- | 6565.5482 | 311.5 |
[M+CH3COO]- | 6579.5639 | 311.5 |
[M+Na-2H]- | 6541.5247 | 311.5 |
[M]+ | 6520.5495 | 311.5 |
[M]- | 6520.5505 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.