CID 16197357
Ggc aag ctt tat tga ggc tt
Structural Information
- Molecular Formula
- C197H249N73O124P20
- 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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)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=C(C(=O)NC1=O)C)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=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C197H249N73O124P20/c1-75-34-254(191(288)244-169(75)272)125-14-82(271)102(356-125)41-337-396(298,299)379-86-18-129(255-35-76(2)170(273)245-192(255)289)360-107(86)46-341-397(300,301)376-83-15-126(251-11-8-122(198)229-188(251)285)357-104(83)43-339-408(322,323)392-99-31-142(268-72-226-152-166(268)235-185(208)241-179(152)282)375-121(99)60-355-414(334,335)394-101-33-144(270-74-228-154-168(270)237-187(210)243-181(154)284)374-120(101)59-354-412(330,331)389-96-27-138(264-68-222-148-158(204)214-64-218-162(148)264)370-116(96)55-350-413(332,333)393-100-32-143(269-73-227-153-167(269)236-186(209)242-180(153)283)371-117(100)56-351-404(314,315)384-91-23-134(260-40-81(7)175(278)250-197(260)294)364-111(91)50-345-402(310,311)382-89-21-132(258-38-79(5)173(276)248-195(258)292)365-112(89)51-346-409(324,325)386-93-24-135(261-65-219-145-155(201)211-61-215-159(145)261)368-114(93)53-348-403(312,313)383-90-22-133(259-39-80(6)174(277)249-196(259)293)363-110(90)49-344-401(308,309)381-88-20-131(257-37-78(4)172(275)247-194(257)291)362-109(88)48-343-400(306,307)380-87-19-130(256-36-77(3)171(274)246-193(256)290)361-108(87)47-342-398(302,303)377-84-16-127(252-12-9-123(199)230-189(252)286)358-105(84)44-338-407(320,321)391-98-30-141(267-71-225-151-165(267)234-184(207)240-178(151)281)373-119(98)58-353-411(328,329)388-95-26-137(263-67-221-147-157(203)213-63-217-161(147)263)369-115(95)54-349-410(326,327)387-94-25-136(262-66-220-146-156(202)212-62-216-160(146)262)367-113(94)52-347-399(304,305)378-85-17-128(253-13-10-124(200)231-190(253)287)359-106(85)45-340-406(318,319)390-97-29-140(266-70-224-150-164(266)233-183(206)239-177(150)280)372-118(97)57-352-405(316,317)385-92-28-139(366-103(92)42-336-395(295,296)297)265-69-223-149-163(265)232-182(205)238-176(149)279/h8-13,34-40,61-74,82-121,125-144,271H,14-33,41-60H2,1-7H3,(H,298,299)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H2,198,229,285)(H2,199,230,286)(H2,200,231,287)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,244,272,288)(H,245,273,289)(H,246,274,290)(H,247,275,291)(H,248,276,292)(H,249,277,293)(H,250,278,294)(H2,295,296,297)(H3,205,232,238,279)(H3,206,233,239,280)(H3,207,234,240,281)(H3,208,235,241,282)(H3,209,236,242,283)(H3,210,237,243,284)
- InChIKey
- ISNVWNFODVPBRA-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)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-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-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-(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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6241.0249 | 311.5 |
[M+Na]+ | 6263.0068 | 311.5 |
[M-H]- | 6239.0103 | 311.5 |
[M+NH4]+ | 6258.0514 | 311.5 |
[M+K]+ | 6278.9808 | 311.5 |
[M+H-H2O]+ | 6223.0149 | 311.5 |
[M+HCOO]- | 6285.0158 | 311.5 |
[M+CH3COO]- | 6299.0315 | 311.5 |
[M+Na-2H]- | 6260.9923 | 311.5 |
[M]+ | 6240.0171 | 311.5 |
[M]- | 6240.0181 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.