CID 16197356
Ttg cca ccc atc tta tag ca
Structural Information
- Molecular Formula
- C193H248N68O122P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=CC(=NC9=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=CC(=NC1=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=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=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=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C193H248N68O122P20/c1-79-41-249(188(278)236-171(79)263)140-29-93(106(353-140)48-325-384(284,285)286)372-392(301,302)335-57-115-96(32-143(355-115)252-44-82(4)174(266)239-191(252)281)377-397(311,312)343-65-123-103(39-150(363-123)260-77-223-157-169(260)232-179(206)234-177(157)269)382-400(317,318)333-55-113-89(25-136(352-113)245-17-10-128(197)228-184(245)274)368-388(293,294)329-52-110-91(27-138(349-110)247-19-12-130(199)230-186(247)276)370-390(297,298)339-61-119-99(35-146(359-119)256-73-219-153-160(202)209-68-214-165(153)256)378-398(313,314)331-54-112-88(24-135(351-112)244-16-9-127(196)227-183(244)273)367-387(291,292)327-50-108-87(23-134(347-108)243-15-8-126(195)226-182(243)272)366-386(289,290)328-51-109-92(28-139(348-109)248-20-13-131(200)231-187(248)277)371-391(299,300)340-62-120-100(36-147(360-120)257-74-220-154-161(203)210-69-215-166(154)257)379-401(319,320)337-59-117-94(30-141(357-117)250-42-80(2)172(264)237-189(250)279)373-393(303,304)330-53-111-90(26-137(350-111)246-18-11-129(198)229-185(246)275)369-389(295,296)334-56-114-95(31-142(354-114)251-43-81(3)173(265)238-190(251)280)374-394(305,306)336-58-116-97(33-144(356-116)253-45-83(5)175(267)240-192(253)282)375-395(307,308)341-63-121-101(37-148(361-121)258-75-221-155-162(204)211-70-216-167(155)258)380-402(321,322)338-60-118-98(34-145(358-118)254-46-84(6)176(268)241-193(254)283)376-396(309,310)342-64-122-102(38-149(362-122)259-76-222-156-163(205)212-71-217-168(156)259)381-403(323,324)344-66-124-104(40-151(364-124)261-78-224-158-170(261)233-180(207)235-178(158)270)383-399(315,316)332-49-107-86(22-133(346-107)242-14-7-125(194)225-181(242)271)365-385(287,288)326-47-105-85(262)21-132(345-105)255-72-218-152-159(201)208-67-213-164(152)255/h7-20,41-46,67-78,85-124,132-151,262H,21-40,47-66H2,1-6H3,(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)(H2,194,225,271)(H2,195,226,272)(H2,196,227,273)(H2,197,228,274)(H2,198,229,275)(H2,199,230,276)(H2,200,231,277)(H2,201,208,213)(H2,202,209,214)(H2,203,210,215)(H2,204,211,216)(H2,205,212,217)(H,236,263,278)(H,237,264,279)(H,238,265,280)(H,239,266,281)(H,240,267,282)(H,241,268,283)(H2,284,285,286)(H3,206,232,234,269)(H3,207,233,235,270)
- InChIKey
- UNRURYXMKLYIPY-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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-(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-(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-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]methyl [5-(5-methyl-2,4-dioxopyrimidin-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]+ | 6090.0117 | 311.5 |
[M+Na]+ | 6111.9936 | 311.5 |
[M-H]- | 6087.9971 | 311.5 |
[M+NH4]+ | 6107.0382 | 311.5 |
[M+K]+ | 6127.9676 | 311.5 |
[M+H-H2O]+ | 6072.0017 | 311.5 |
[M+HCOO]- | 6134.0026 | 311.5 |
[M+CH3COO]- | 6148.0183 | 311.5 |
[M+Na-2H]- | 6109.9791 | 311.5 |
[M]+ | 6089.0039 | 311.5 |
[M]- | 6089.0049 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.