CID 16197352
Ccg ctt ctt cct gcc ata gg
Structural Information
- Molecular Formula
- C192H248N66O125P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)O)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)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=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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)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=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C192H248N66O125P20/c1-77-43-247(187(278)233-165(77)260)140-32-92(115(357-140)61-337-396(309,310)375-94-34-142(249-45-79(3)167(262)235-189(249)280)354-112(94)58-334-390(297,298)369-88-28-136(243-19-11-127(197)221-183(243)274)351-109(88)55-331-395(307,308)374-93-33-141(248-44-78(2)166(261)234-188(248)279)358-116(93)62-338-397(311,312)376-95-35-143(250-46-80(4)168(263)236-190(250)281)355-113(95)59-335-391(299,300)370-89-29-137(244-20-12-128(198)222-184(244)275)353-111(89)57-333-400(317,318)382-101-41-149(257-75-215-155-163(257)227-177(205)231-173(155)268)363-121(101)67-342-393(303,304)372-90-30-138(245-21-13-129(199)223-185(245)276)347-105(90)51-327-386(289,290)365-84-24-132(239-15-7-123(193)217-179(239)270)346-104(84)50-325-384(284,285)286)373-394(305,306)330-54-108-85(25-133(350-108)240-16-8-124(194)218-180(240)271)366-387(291,292)328-52-106-87(27-135(348-106)242-18-10-126(196)220-182(242)273)368-389(295,296)336-60-114-96(36-144(356-114)251-47-81(5)169(264)237-191(251)282)378-399(315,316)343-68-122-102(42-150(364-122)258-76-216-156-164(258)228-178(206)232-174(156)269)383-401(319,320)332-56-110-86(26-134(352-110)241-17-9-125(195)219-181(241)272)367-388(293,294)329-53-107-91(31-139(349-107)246-22-14-130(200)224-186(246)277)371-392(301,302)340-64-118-98(38-146(360-118)253-71-211-151-157(201)207-69-209-159(151)253)380-402(321,322)339-63-117-97(37-145(359-117)252-48-82(6)170(265)238-192(252)283)377-398(313,314)341-65-119-99(39-147(361-119)254-72-212-152-158(202)208-70-210-160(152)254)381-403(323,324)344-66-120-100(40-148(362-120)256-74-214-154-162(256)226-176(204)230-172(154)267)379-385(287,288)326-49-103-83(259)23-131(345-103)255-73-213-153-161(255)225-175(203)229-171(153)266/h7-22,43-48,69-76,83-122,131-150,259H,23-42,49-68H2,1-6H3,(H,287,288)(H,289,290)(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)(H2,193,217,270)(H2,194,218,271)(H2,195,219,272)(H2,196,220,273)(H2,197,221,274)(H2,198,222,275)(H2,199,223,276)(H2,200,224,277)(H2,201,207,209)(H2,202,208,210)(H,233,260,278)(H,234,261,279)(H,235,262,280)(H,236,263,281)(H,237,264,282)(H,238,265,283)(H2,284,285,286)(H3,203,225,229,266)(H3,204,226,230,267)(H3,205,227,231,268)(H3,206,228,232,269)
- InChIKey
- XLIPXEZDASXEHN-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6097.9903 | 311.5 |
[M+Na]+ | 6119.9722 | 311.5 |
[M-H]- | 6095.9757 | 311.5 |
[M+NH4]+ | 6115.0168 | 311.5 |
[M+K]+ | 6135.9462 | 311.5 |
[M+H-H2O]+ | 6079.9803 | 311.5 |
[M+HCOO]- | 6141.9812 | 311.5 |
[M+CH3COO]- | 6155.9969 | 311.5 |
[M+Na-2H]- | 6117.9577 | 311.5 |
[M]+ | 6096.9825 | 311.5 |
[M]- | 6096.9835 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.