CID 16186437
Gggggtgcggtgcgtgtcgg
Structural Information
- Molecular Formula
- C197H246N82O125P20
- 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)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)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=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C197H246N82O125P20/c1-68-31-263(194(301)256-161(68)281)119-15-76(389-410(316,317)348-37-94-73(12-116(367-94)260-8-5-112(198)227-191(260)298)386-407(310,311)355-44-101-81(20-124(375-101)269-57-216-137-150(269)232-180(203)245-167(137)287)394-406(308,309)347-35-92-72(280)11-115(366-92)267-55-214-135-148(267)230-178(201)243-165(135)285)97(370-119)40-351-418(332,333)398-85-24-128(273-61-220-141-154(273)236-184(207)249-171(141)291)380-106(85)49-360-413(322,323)392-79-18-122(266-34-71(4)164(284)259-197(266)304)371-98(79)41-352-417(330,331)397-84-23-127(272-60-219-140-153(272)235-183(206)248-170(140)290)376-102(84)45-356-408(312,313)387-74-13-117(261-9-6-113(199)228-192(261)299)368-95(74)38-349-415(326,327)395-82-21-125(270-58-217-138-151(270)233-181(204)246-168(138)288)378-104(82)47-358-411(318,319)390-77-16-120(264-32-69(2)162(282)257-195(264)302)372-99(77)42-353-419(334,335)399-86-25-129(274-62-221-142-155(274)237-185(208)250-172(142)292)382-108(86)51-362-421(338,339)401-88-27-131(276-64-223-144-157(276)239-187(210)252-174(144)294)377-103(88)46-357-409(314,315)388-75-14-118(262-10-7-114(200)229-193(262)300)369-96(75)39-350-416(328,329)396-83-22-126(271-59-218-139-152(271)234-182(205)247-169(139)289)379-105(83)48-359-412(320,321)391-78-17-121(265-33-70(3)163(283)258-196(265)303)373-100(78)43-354-420(336,337)400-87-26-130(275-63-222-143-156(275)238-186(209)251-173(143)293)383-109(87)52-363-423(342,343)403-90-29-133(278-66-225-146-159(278)241-189(212)254-176(146)296)385-111(90)54-365-424(344,345)404-91-30-134(279-67-226-147-160(279)242-190(213)255-177(147)297)384-110(91)53-364-422(340,341)402-89-28-132(277-65-224-145-158(277)240-188(211)253-175(145)295)381-107(89)50-361-414(324,325)393-80-19-123(374-93(80)36-346-405(305,306)307)268-56-215-136-149(268)231-179(202)244-166(136)286/h5-10,31-34,55-67,72-111,115-134,280H,11-30,35-54H2,1-4H3,(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)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H,344,345)(H2,198,227,298)(H2,199,228,299)(H2,200,229,300)(H,256,281,301)(H,257,282,302)(H,258,283,303)(H,259,284,304)(H2,305,306,307)(H3,201,230,243,285)(H3,202,231,244,286)(H3,203,232,245,287)(H3,204,233,246,288)(H3,205,234,247,289)(H3,206,235,248,290)(H3,207,236,249,291)(H3,208,237,250,292)(H3,209,238,251,293)(H3,210,239,252,294)(H3,211,240,253,295)(H3,212,241,254,296)(H3,213,242,255,297)
- InChIKey
- RIRXIGJZYMKMBL-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-(2-amino-6-oxo-1H-purin-9-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-(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]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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]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]oxyoxolan-2-yl]methyl [5-(2-amino-6-oxo-1H-purin-9-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]+ | 6380.0239 | 311.5 |
[M+Na]+ | 6402.0058 | 311.5 |
[M-H]- | 6378.0093 | 311.5 |
[M+NH4]+ | 6397.0504 | 311.5 |
[M+K]+ | 6417.9798 | 311.5 |
[M+H-H2O]+ | 6362.0139 | 311.5 |
[M+HCOO]- | 6424.0148 | 311.5 |
[M+CH3COO]- | 6438.0305 | 311.5 |
[M+Na-2H]- | 6399.9913 | 311.5 |
[M]+ | 6379.0161 | 311.5 |
[M]- | 6379.0171 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.