CID 16197347
Ctg ttt tcc ata atc cct aa
Structural Information
- Molecular Formula
- C194H250N64O124P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)O)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=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=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=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=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=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=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C194H250N64O124P20/c1-80-41-245(187(275)231-171(80)260)141-28-95(117(353-141)58-333-393(304,305)372-97-30-143(247-43-82(3)173(262)233-189(247)277)354-118(97)59-334-394(306,307)373-98-31-144(248-44-83(4)174(263)234-190(248)278)355-119(98)60-335-395(308,309)374-99-32-145(249-45-84(5)175(264)235-191(249)279)358-122(99)63-338-401(320,321)382-107-40-153(258-79-222-159-170(258)229-180(206)230-179(159)268)363-127(107)68-343-398(314,315)377-100-33-146(250-46-85(6)176(265)236-192(250)280)351-115(100)56-331-385(288,289)364-89-22-135(239-15-9-128(195)223-181(239)269)345-109(89)50-324-383(283,284)285)370-391(300,301)329-54-113-92(25-138(349-113)242-18-12-131(198)226-184(242)272)367-388(294,295)328-53-112-94(27-140(348-112)244-20-14-133(200)228-186(244)274)369-390(298,299)339-65-124-104(37-150(360-124)255-76-219-156-162(203)209-71-214-167(156)255)379-399(316,317)337-62-121-102(35-148(357-121)252-48-87(8)178(267)238-194(252)282)376-397(312,313)341-66-125-106(39-152(361-125)257-78-221-158-164(205)211-73-216-169(158)257)381-402(322,323)342-67-126-105(38-151(362-126)256-77-220-157-163(204)210-72-215-168(157)256)380-400(318,319)336-61-120-96(29-142(356-120)246-42-81(2)172(261)232-188(246)276)371-392(302,303)330-55-114-91(24-137(350-114)241-17-11-130(197)225-183(241)271)366-387(292,293)326-51-110-90(23-136(346-110)240-16-10-129(196)224-182(240)270)365-386(290,291)327-52-111-93(26-139(347-111)243-19-13-132(199)227-185(243)273)368-389(296,297)332-57-116-101(34-147(352-116)251-47-86(7)177(266)237-193(251)281)375-396(310,311)340-64-123-103(36-149(359-123)254-75-218-155-161(202)208-70-213-166(155)254)378-384(286,287)325-49-108-88(259)21-134(344-108)253-74-217-154-160(201)207-69-212-165(154)253/h9-20,41-48,69-79,88-127,134-153,259H,21-40,49-68H2,1-8H3,(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(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)(H2,195,223,269)(H2,196,224,270)(H2,197,225,271)(H2,198,226,272)(H2,199,227,273)(H2,200,228,274)(H2,201,207,212)(H2,202,208,213)(H2,203,209,214)(H2,204,210,215)(H2,205,211,216)(H,231,260,275)(H,232,261,276)(H,233,262,277)(H,234,263,278)(H,235,264,279)(H,236,265,280)(H,237,266,281)(H,238,267,282)(H2,283,284,285)(H3,206,229,230,268)
- InChIKey
- IKLMHTWBELEEOQ-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[3-[[3-[[3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[[5-(6-aminopurin-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-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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-(6-aminopurin-9-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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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-(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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-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]+ | 6080.0049 | 311.5 |
[M+Na]+ | 6101.9868 | 311.5 |
[M-H]- | 6077.9903 | 311.5 |
[M+NH4]+ | 6097.0314 | 311.5 |
[M+K]+ | 6117.9608 | 311.5 |
[M+H-H2O]+ | 6061.9949 | 311.5 |
[M+HCOO]- | 6123.9958 | 311.5 |
[M+CH3COO]- | 6138.0115 | 311.5 |
[M+Na-2H]- | 6099.9723 | 311.5 |
[M]+ | 6078.9971 | 311.5 |
[M]- | 6078.9981 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.