CID 16197355
Gga ggt ggg tct gaa acg at
Structural Information
- Molecular Formula
- C198H246N84O120P20
- 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)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=C(N=CN=C21)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C198H246N84O120P20/c1-72-29-265(195(299)259-171(72)284)118-9-76(283)96(364-118)33-345-404(306,307)390-83-15-124(269-58-225-138-152(201)215-53-220-157(138)269)371-103(83)40-353-417(332,333)397-90-23-132(277-66-233-146-165(277)244-187(209)253-178(146)291)376-108(90)45-356-406(310,311)385-78-11-120(264-8-6-117(200)240-194(264)298)366-99(78)36-347-411(320,321)391-84-16-125(270-59-226-139-153(202)216-54-221-158(139)270)372-104(84)41-351-414(326,327)392-85-17-126(271-60-227-140-154(203)217-55-222-159(140)271)373-105(85)42-352-415(328,329)393-86-18-127(272-61-228-141-155(204)218-56-223-160(141)272)374-106(86)43-354-418(334,335)398-91-24-133(278-67-234-147-166(278)245-188(210)254-179(147)292)377-109(91)46-357-408(314,315)387-80-13-122(267-31-74(3)173(286)261-197(267)301)367-100(80)37-348-405(308,309)384-77-10-119(263-7-5-116(199)239-193(263)297)365-98(77)35-346-407(312,313)386-79-12-121(266-30-73(2)172(285)260-196(266)300)368-101(79)38-349-412(322,323)395-88-21-130(275-64-231-144-163(275)242-185(207)251-176(144)289)382-114(88)51-362-422(342,343)402-95-28-137(282-71-238-151-170(282)249-192(214)258-183(151)296)383-115(95)52-363-420(338,339)400-92-25-134(279-68-235-148-167(279)246-189(211)255-180(148)293)378-110(92)47-358-409(316,317)388-81-14-123(268-32-75(4)174(287)262-198(268)302)369-102(81)39-350-413(324,325)396-89-22-131(276-65-232-145-164(276)243-186(208)252-177(145)290)381-113(89)50-361-421(340,341)401-94-27-136(281-70-237-150-169(281)248-191(213)257-182(150)295)380-112(94)49-360-416(330,331)394-87-19-128(273-62-229-142-156(205)219-57-224-161(142)273)375-107(87)44-355-419(336,337)399-93-26-135(280-69-236-149-168(280)247-190(212)256-181(149)294)379-111(93)48-359-410(318,319)389-82-20-129(370-97(82)34-344-403(303,304)305)274-63-230-143-162(274)241-184(206)250-175(143)288/h5-8,29-32,53-71,76-115,118-137,283H,9-28,33-52H2,1-4H3,(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)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(H2,199,239,297)(H2,200,240,298)(H2,201,215,220)(H2,202,216,221)(H2,203,217,222)(H2,204,218,223)(H2,205,219,224)(H,259,284,299)(H,260,285,300)(H,261,286,301)(H,262,287,302)(H2,303,304,305)(H3,206,241,250,288)(H3,207,242,251,289)(H3,208,243,252,290)(H3,209,244,253,291)(H3,210,245,254,292)(H3,211,246,255,293)(H3,212,247,256,294)(H3,213,248,257,295)(H3,214,249,258,296)
- InChIKey
- BOTJDLJHWFEKEV-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6340.0556 | 311.5 |
[M+Na]+ | 6362.0375 | 311.5 |
[M-H]- | 6338.0410 | 311.5 |
[M+NH4]+ | 6357.0821 | 311.5 |
[M+K]+ | 6378.0115 | 311.5 |
[M+H-H2O]+ | 6322.0456 | 311.5 |
[M+HCOO]- | 6384.0465 | 311.5 |
[M+CH3COO]- | 6398.0622 | 311.5 |
[M+Na-2H]- | 6360.0230 | 311.5 |
[M]+ | 6339.0478 | 311.5 |
[M]- | 6339.0488 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.