CID 16133904
5'-cgagataatgttcacacaac-3'
Structural Information
- Molecular Formula
- C195H245N78O95P19S19
- 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(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)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=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)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C195H245N78O95P19S19/c1-78-35-259(192(288)250-177(78)276)132-20-87(354-374(297,393)313-41-104-84(17-129(332-104)256-12-7-124(198)241-189(256)285)351-371(294,390)320-49-112-92(25-137(340-112)264-68-229-148-159(202)213-60-221-167(148)264)359-378(301,397)314-42-105-85(18-130(333-105)257-13-8-125(199)242-190(257)286)352-372(295,391)321-50-113-93(26-138(341-113)265-69-230-149-160(203)214-61-222-168(149)265)360-379(302,398)315-43-106-86(19-131(334-106)258-14-9-126(200)243-191(258)287)353-373(296,392)322-51-114-96(29-141(342-114)268-72-233-152-163(206)217-64-225-171(152)268)363-383(306,402)324-48-111-91(24-136(339-111)263-67-228-147-158(201)212-59-220-166(147)263)358-369(292,388)311-40-103-82(275)15-127(331-103)254-10-5-122(196)239-187(254)283)107(335-132)44-316-375(298,394)355-88-21-133(260-36-79(2)178(277)251-193(260)289)338-110(88)47-319-382(305,401)366-100-33-145(272-76-237-156-175(272)245-185(210)248-182(156)281)348-120(100)57-328-377(300,396)357-90-23-135(262-38-81(4)180(279)253-195(262)291)337-109(90)46-318-380(303,399)361-94-27-139(266-70-231-150-161(204)215-62-223-169(150)266)344-116(94)53-325-384(307,403)364-97-30-142(269-73-234-153-164(207)218-65-226-172(153)269)343-115(97)52-323-376(299,395)356-89-22-134(261-37-80(3)179(278)252-194(261)290)336-108(89)45-317-381(304,400)362-95-28-140(267-71-232-151-162(205)216-63-224-170(151)267)345-117(95)54-327-387(310,406)368-101-34-146(273-77-238-157-176(273)246-186(211)249-183(157)282)349-121(101)58-329-385(308,404)365-98-31-143(270-74-235-154-165(208)219-66-227-173(154)270)346-118(98)55-326-386(309,405)367-99-32-144(271-75-236-155-174(271)244-184(209)247-181(155)280)347-119(99)56-312-370(293,389)350-83-16-128(330-102(83)39-274)255-11-6-123(197)240-188(255)284/h5-14,35-38,59-77,82-121,127-146,274-275H,15-34,39-58H2,1-4H3,(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)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H2,196,239,283)(H2,197,240,284)(H2,198,241,285)(H2,199,242,286)(H2,200,243,287)(H2,201,212,220)(H2,202,213,221)(H2,203,214,222)(H2,204,215,223)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H,250,276,288)(H,251,277,289)(H,252,278,290)(H,253,279,291)(H3,209,244,247,280)(H3,210,245,248,281)(H3,211,246,249,282)
- InChIKey
- GNASFYBSNZQSFV-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)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-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-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]-4-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-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]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-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]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6395.6518 | 311.5 |
[M+Na]+ | 6417.6337 | 311.5 |
[M-H]- | 6393.6372 | 311.5 |
[M+NH4]+ | 6412.6783 | 311.5 |
[M+K]+ | 6433.6077 | 311.5 |
[M+H-H2O]+ | 6377.6418 | 311.5 |
[M+HCOO]- | 6439.6427 | 311.5 |
[M+CH3COO]- | 6453.6584 | 311.5 |
[M+Na-2H]- | 6415.6192 | 311.5 |
[M]+ | 6394.6440 | 311.5 |
[M]- | 6394.6450 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.