CID 16197346
Gcc cct tca cct ttc cag ag
Structural Information
- Molecular Formula
- C191H247N67O123P20
- 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)O)N8C=NC9=C8N=C(NC9=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)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=NC2=C(N=CN=C21)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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C191H247N67O123P20/c1-78-44-248(187(277)234-167(78)260)142-34-93(372-393(305,306)330-56-110-86(27-135(349-110)241-17-8-125(194)221-180(241)270)365-386(291,292)329-55-109-91(32-140(348-109)246-22-13-130(199)226-185(246)275)370-391(301,302)340-67-121-101(41-149(361-121)255-74-215-154-160(203)209-71-212-163(154)255)380-400(319,320)342-68-122-102(43-151(362-122)258-77-218-157-166(258)230-177(206)233-174(157)267)381-401(321,322)341-65-119-99(39-147(359-119)253-72-213-152-158(201)207-69-210-161(152)253)378-383(285,286)324-49-103-83(259)24-132(343-103)256-75-216-155-164(256)228-175(204)231-172(155)265)117(356-142)63-337-397(313,314)376-97-38-146(252-48-82(5)171(264)238-191(252)281)357-118(97)64-338-396(311,312)375-96-37-145(251-47-81(4)170(263)237-190(251)280)354-115(96)61-335-390(299,300)369-90-31-139(245-21-12-129(198)225-184(245)274)347-108(90)54-328-388(295,296)367-88-29-137(243-19-10-127(196)223-182(243)272)352-113(88)59-333-399(317,318)379-100-40-148(254-73-214-153-159(202)208-70-211-162(153)254)360-120(100)66-339-392(303,304)371-92-33-141(247-23-14-131(200)227-186(247)276)350-111(92)57-331-394(307,308)373-94-35-143(249-45-79(2)168(261)235-188(249)278)355-116(94)62-336-395(309,310)374-95-36-144(250-46-80(3)169(262)236-189(250)279)353-114(95)60-334-389(297,298)368-89-30-138(244-20-11-128(197)224-183(244)273)346-107(89)53-327-385(289,290)364-85-26-134(240-16-7-124(193)220-179(240)269)344-105(85)51-325-384(287,288)363-84-25-133(239-15-6-123(192)219-178(239)268)345-106(84)52-326-387(293,294)366-87-28-136(242-18-9-126(195)222-181(242)271)351-112(87)58-332-398(315,316)377-98-42-150(358-104(98)50-323-382(282,283)284)257-76-217-156-165(257)229-176(205)232-173(156)266/h6-23,44-48,69-77,83-122,132-151,259H,24-43,49-68H2,1-5H3,(H,285,286)(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)(H2,192,219,268)(H2,193,220,269)(H2,194,221,270)(H2,195,222,271)(H2,196,223,272)(H2,197,224,273)(H2,198,225,274)(H2,199,226,275)(H2,200,227,276)(H2,201,207,210)(H2,202,208,211)(H2,203,209,212)(H,234,260,277)(H,235,261,278)(H,236,262,279)(H,237,263,280)(H,238,264,281)(H2,282,283,284)(H3,204,228,231,265)(H3,205,229,232,266)(H3,206,230,233,267)
- InChIKey
- DMPGEBBUUZBQAV-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[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-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]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-(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-(6-aminopurin-9-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-(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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-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]+ | 6066.9956 | 311.5 |
[M+Na]+ | 6088.9775 | 311.5 |
[M-H]- | 6064.9810 | 311.5 |
[M+NH4]+ | 6084.0221 | 311.5 |
[M+K]+ | 6104.9515 | 311.5 |
[M+H-H2O]+ | 6048.9856 | 311.5 |
[M+HCOO]- | 6110.9865 | 311.5 |
[M+CH3COO]- | 6125.0022 | 311.5 |
[M+Na-2H]- | 6086.9630 | 311.5 |
[M]+ | 6065.9878 | 311.5 |
[M]- | 6065.9888 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.