CID 16197452
Tggcgtactcaccagtcgccgc
Structural Information
- Molecular Formula
- C211H270N80O134P22
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=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=CC(=NC1=O)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=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=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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)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=CC(=NC1=O)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)O
- InChI
- InChI=1S/C211H270N80O134P22/c1-83-45-279(208(312)266-183(83)293)149-32-96(110(392-149)50-361-426(316,317)318)413-436(337,338)380-68-128-108(44-161(402-128)291-82-244-170-182(291)259-198(229)265-192(170)302)425-447(359,360)382-70-130-105(41-158(404-130)288-79-241-167-179(288)256-195(226)262-189(167)299)422-443(351,352)370-58-118-95(31-148(391-118)278-22-13-139(220)253-207(278)311)412-435(335,336)379-67-127-106(42-159(401-127)289-80-242-168-180(289)257-196(227)263-190(168)300)423-444(353,354)373-61-121-99(35-152(395-121)282-48-86(4)186(296)269-211(282)315)416-439(343,344)376-64-124-101(37-154(398-124)284-75-237-163-172(222)231-72-234-175(163)284)419-441(347,348)368-56-116-90(26-143(389-116)273-17-8-134(215)248-202(273)306)407-430(325,326)371-59-119-97(33-150(393-119)280-46-84(2)184(294)267-209(280)313)414-437(339,340)365-53-113-93(29-146(386-113)276-20-11-137(218)251-205(276)309)409-432(329,330)374-62-122-100(36-153(396-122)283-74-236-162-171(221)230-71-233-174(162)283)418-440(345,346)367-55-115-88(24-141(388-115)271-15-6-132(213)246-200(271)304)405-428(321,322)363-51-111-91(27-144(384-111)274-18-9-135(216)249-203(274)307)408-431(327,328)375-63-123-102(38-155(397-123)285-76-238-164-173(223)232-73-235-176(164)285)420-446(357,358)381-69-129-107(43-160(403-129)290-81-243-169-181(290)258-197(228)264-191(169)301)424-445(355,356)372-60-120-98(34-151(394-120)281-47-85(3)185(295)268-210(281)314)415-438(341,342)366-54-114-94(30-147(387-114)277-21-12-138(219)252-206(277)310)411-434(333,334)378-66-126-104(40-157(400-126)287-78-240-166-178(287)255-194(225)261-188(166)298)421-442(349,350)369-57-117-89(25-142(390-117)272-16-7-133(214)247-201(272)305)406-429(323,324)364-52-112-92(28-145(385-112)275-19-10-136(217)250-204(275)308)410-433(331,332)377-65-125-103(39-156(399-125)286-77-239-165-177(286)254-193(224)260-187(165)297)417-427(319,320)362-49-109-87(292)23-140(383-109)270-14-5-131(212)245-199(270)303/h5-22,45-48,71-82,87-130,140-161,292H,23-44,49-70H2,1-4H3,(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H2,212,245,303)(H2,213,246,304)(H2,214,247,305)(H2,215,248,306)(H2,216,249,307)(H2,217,250,308)(H2,218,251,309)(H2,219,252,310)(H2,220,253,311)(H2,221,230,233)(H2,222,231,234)(H2,223,232,235)(H,266,293,312)(H,267,294,313)(H,268,295,314)(H,269,296,315)(H2,316,317,318)(H3,224,254,260,297)(H3,225,255,261,298)(H3,226,256,262,299)(H3,227,257,263,300)(H3,228,258,264,301)(H3,229,259,265,302)
- InChIKey
- VDACJARMJGPNCC-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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-(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]oxyoxolan-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-(6-aminopurin-9-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-(4-amino-2-oxopyrimidin-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]+ | 6750.1073 | 311.5 |
[M+Na]+ | 6772.0892 | 311.5 |
[M-H]- | 6748.0927 | 311.5 |
[M+NH4]+ | 6767.1338 | 311.5 |
[M+K]+ | 6788.0632 | 311.5 |
[M+H-H2O]+ | 6732.0973 | 311.5 |
[M+HCOO]- | 6794.0982 | 311.5 |
[M+CH3COO]- | 6808.1139 | 311.5 |
[M+Na-2H]- | 6770.0747 | 311.5 |
[M]+ | 6749.0995 | 311.5 |
[M]- | 6749.1005 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.