CID 16197257
Aca mpccc aampt tct gampa aampt gg
Structural Information
- Molecular Formula
- C199H253N78O110P19
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(C)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(C)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1CO)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)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=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=NC2=C(N=CN=C21)N)OP(=O)(C)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(C)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=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C199H253N78O110P19/c1-82-39-263(196(292)254-181(82)280)137-30-97(109(356-137)46-331-389(6,297)370-89-22-143(269-73-234-153-164(207)218-65-226-172(153)269)362-113(89)50-336-395(306,307)385-102-35-147(273-77-238-157-168(211)222-69-230-176(157)273)365-122(102)59-345-401(318,319)378-96-29-136(262-18-13-130(204)247-195(262)291)354-118(96)55-341-399(314,315)376-94-27-134(260-16-11-128(202)245-193(260)289)353-117(94)54-340-398(312,313)374-92-25-132(258-14-9-126(200)243-191(258)287)351-108(92)45-330-388(5,296)369-88-21-142(268-72-233-152-163(206)217-64-225-171(152)268)361-112(88)49-335-394(304,305)375-93-26-133(259-15-10-127(201)244-192(259)288)352-116(93)53-339-393(302,303)373-87-20-141(349-106(87)43-278)267-71-232-151-162(205)216-63-224-170(151)267)379-402(320,321)344-58-121-99(32-139(359-121)265-41-84(3)183(282)256-198(265)294)381-404(324,325)342-56-119-95(28-135(355-119)261-17-12-129(203)246-194(261)290)377-400(316,317)343-57-120-100(33-140(358-120)266-42-85(4)184(283)257-199(266)295)382-405(326,327)348-62-125-105(38-150(368-125)277-81-242-161-180(277)250-190(215)253-187(161)286)387-397(310,311)338-52-115-91(24-145(364-115)271-75-236-155-166(209)220-67-228-174(155)271)372-391(8,299)333-48-111-101(34-146(360-111)272-76-237-156-167(210)221-68-229-175(156)272)383-406(328,329)346-60-123-103(36-148(366-123)274-78-239-158-169(212)223-70-231-177(158)274)386-396(308,309)337-51-114-90(23-144(363-114)270-74-235-154-165(208)219-66-227-173(154)270)371-390(7,298)332-47-110-98(31-138(357-110)264-40-83(2)182(281)255-197(264)293)380-403(322,323)347-61-124-104(37-149(367-124)276-80-241-160-179(276)249-189(214)252-186(160)285)384-392(300,301)334-44-107-86(279)19-131(350-107)275-79-240-159-178(275)248-188(213)251-185(159)284/h9-18,39-42,63-81,86-125,131-150,278-279H,19-38,43-62H2,1-8H3,(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)(H2,200,243,287)(H2,201,244,288)(H2,202,245,289)(H2,203,246,290)(H2,204,247,291)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H2,209,220,228)(H2,210,221,229)(H2,211,222,230)(H2,212,223,231)(H,254,280,292)(H,255,281,293)(H,256,282,294)(H,257,283,295)(H3,213,248,251,284)(H3,214,249,252,285)(H3,215,250,253,286)
- InChIKey
- MXTBQKKRTQZYKY-UHFFFAOYSA-N
- Compound name
- [3-[[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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-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-(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-methylphosphoryl]oxy-5-(6-aminopurin-9-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]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-methylphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6084.1689 | 311.5 |
[M+Na]+ | 6106.1508 | 311.5 |
[M-H]- | 6082.1543 | 311.5 |
[M+NH4]+ | 6101.1954 | 311.5 |
[M+K]+ | 6122.1248 | 311.5 |
[M+H-H2O]+ | 6066.1589 | 311.5 |
[M+HCOO]- | 6128.1598 | 311.5 |
[M+CH3COO]- | 6142.1755 | 311.5 |
[M+Na-2H]- | 6104.1363 | 311.5 |
[M]+ | 6083.1611 | 311.5 |
[M]- | 6083.1621 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.