CID 16197354
Ttc act ctc att gcc act gt
Structural Information
- Molecular Formula
- C193H250N62O126P20
- 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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C193H250N62O126P20/c1-79-43-243(186(274)228-167(79)257)134-23-87(256)107(343-134)51-324-383(285,286)377-105-41-152(254-77-215-157-165(254)224-177(204)226-175(157)265)361-125(105)69-341-396(311,312)375-100-36-147(249-49-85(7)173(263)234-192(249)280)354-118(100)62-334-387(293,294)366-91-27-138(239-19-12-130(197)220-182(239)270)349-114(91)58-330-398(315,316)378-102-38-149(251-74-212-154-159(201)206-71-209-162(154)251)358-122(102)66-338-388(295,296)367-92-28-139(240-20-13-131(198)221-183(240)271)344-109(92)53-325-384(287,288)363-88-24-135(236-16-9-127(194)217-179(236)267)350-115(88)59-331-400(319,320)381-106-42-153(255-78-216-158-166(255)225-178(205)227-176(158)266)362-126(106)70-342-397(313,314)376-101-37-148(250-50-86(8)174(264)235-193(250)281)356-120(101)64-336-395(309,310)374-99-35-146(248-48-84(6)172(262)233-191(248)279)357-121(99)65-337-401(321,322)380-104-40-151(253-76-214-156-161(203)208-73-211-164(156)253)360-124(104)68-340-390(299,300)369-94-30-141(242-22-15-133(200)223-185(242)273)346-111(94)55-327-393(305,306)372-97-33-144(246-46-82(4)170(260)231-189(246)277)352-116(97)60-332-385(289,290)364-89-25-136(237-17-10-128(195)218-180(237)268)345-110(89)54-326-392(303,304)371-96-32-143(245-45-81(3)169(259)230-188(245)276)353-117(96)61-333-386(291,292)365-90-26-137(238-18-11-129(196)219-181(238)269)348-113(90)57-329-399(317,318)379-103-39-150(252-75-213-155-160(202)207-72-210-163(155)252)359-123(103)67-339-389(297,298)368-93-29-140(241-21-14-132(199)222-184(241)272)347-112(93)56-328-394(307,308)373-98-34-145(247-47-83(5)171(261)232-190(247)278)355-119(98)63-335-391(301,302)370-95-31-142(351-108(95)52-323-382(282,283)284)244-44-80(2)168(258)229-187(244)275/h9-22,43-50,71-78,87-126,134-153,256H,23-42,51-70H2,1-8H3,(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)(H2,194,217,267)(H2,195,218,268)(H2,196,219,269)(H2,197,220,270)(H2,198,221,271)(H2,199,222,272)(H2,200,223,273)(H2,201,206,209)(H2,202,207,210)(H2,203,208,211)(H,228,257,274)(H,229,258,275)(H,230,259,276)(H,231,260,277)(H,232,261,278)(H,233,262,279)(H,234,263,280)(H,235,264,281)(H2,282,283,284)(H3,204,224,226,265)(H3,205,225,227,266)
- InChIKey
- JPRSOHMBCOWQTL-UHFFFAOYSA-N
- Compound name
- [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-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6071.9887 | 311.5 |
[M+Na]+ | 6093.9706 | 311.5 |
[M-H]- | 6069.9741 | 311.5 |
[M+NH4]+ | 6089.0152 | 311.5 |
[M+K]+ | 6109.9446 | 311.5 |
[M+H-H2O]+ | 6053.9787 | 311.5 |
[M+HCOO]- | 6115.9796 | 311.5 |
[M+CH3COO]- | 6129.9953 | 311.5 |
[M+Na-2H]- | 6091.9561 | 311.5 |
[M]+ | 6070.9809 | 311.5 |
[M]- | 6070.9819 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.