CID 16130770
G g a g g g g g g g t c c t g g a g g c
Structural Information
- Molecular Formula
- C197H244N88O121P20
- 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)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=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=CC(=NC1=O)N)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)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=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C197H244N88O121P20/c1-68-29-269(196(305)264-165(68)287)116-12-73(390-411(316,317)351-34-93-71(10-114(370-93)267-7-4-111(199)236-194(267)303)388-409(312,313)350-33-92-72(11-115(369-92)268-8-5-112(200)237-195(268)304)389-410(314,315)352-35-94-74(13-117(371-94)270-30-69(2)166(288)265-197(270)306)391-412(318,319)356-40-99-80(19-123(377-99)276-58-225-138-155(276)241-183(206)254-170(138)292)399-420(334,335)362-45-104-82(21-125(382-104)278-60-227-140-157(278)243-185(208)256-172(140)294)398-418(330,331)355-38-97-77(15-119(375-97)272-54-221-134-149(202)217-52-219-151(134)272)395-415(324,325)358-42-101-83(22-126(379-101)279-61-228-141-158(279)244-186(209)257-173(141)295)400-419(332,333)360-39-98-78(17-121(376-98)274-56-223-136-153(274)239-181(204)252-168(136)290)393-408(310,311)349-31-90-70(286)9-113(368-90)266-6-3-110(198)235-193(266)302)95(372-116)36-353-414(322,323)396-79-18-122(275-57-224-137-154(275)240-182(205)253-169(137)291)381-103(79)44-361-421(336,337)402-85-24-128(281-63-230-143-160(281)246-188(211)259-175(143)297)384-106(85)47-364-423(340,341)404-87-26-130(283-65-232-145-162(283)248-190(213)261-177(145)299)386-108(87)49-366-425(344,345)406-89-28-132(285-67-234-147-164(285)250-192(215)263-179(147)301)387-109(89)50-367-426(346,347)405-88-27-131(284-66-233-146-163(284)249-191(214)262-178(146)300)385-107(88)48-365-424(342,343)403-86-25-129(282-64-231-144-161(282)247-189(212)260-176(144)298)383-105(86)46-363-422(338,339)401-84-23-127(280-62-229-142-159(280)245-187(210)258-174(142)296)380-102(84)43-359-416(326,327)394-76-14-118(271-53-220-133-148(201)216-51-218-150(133)271)374-96(76)37-354-417(328,329)397-81-20-124(277-59-226-139-156(277)242-184(207)255-171(139)293)378-100(81)41-357-413(320,321)392-75-16-120(373-91(75)32-348-407(307,308)309)273-55-222-135-152(273)238-180(203)251-167(135)289/h3-8,29-30,51-67,70-109,113-132,286H,9-28,31-50H2,1-2H3,(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)(H,346,347)(H2,198,235,302)(H2,199,236,303)(H2,200,237,304)(H2,201,216,218)(H2,202,217,219)(H,264,287,305)(H,265,288,306)(H2,307,308,309)(H3,203,238,251,289)(H3,204,239,252,290)(H3,205,240,253,291)(H3,206,241,254,292)(H3,207,242,255,293)(H3,208,243,256,294)(H3,209,244,257,295)(H3,210,245,258,296)(H3,211,246,259,297)(H3,212,247,260,298)(H3,213,248,261,299)(H3,214,249,262,300)(H3,215,250,263,301)
- InChIKey
- ZUCSOHIVJURTTJ-UHFFFAOYSA-N
- Compound name
- [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-[[[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-[[[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-[[[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]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]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-(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]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] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6398.0469 | 311.5 |
[M+Na]+ | 6420.0288 | 311.5 |
[M-H]- | 6396.0323 | 311.5 |
[M+NH4]+ | 6415.0734 | 311.5 |
[M+K]+ | 6436.0028 | 311.5 |
[M+H-H2O]+ | 6380.0369 | 311.5 |
[M+HCOO]- | 6442.0378 | 311.5 |
[M+CH3COO]- | 6456.0535 | 311.5 |
[M+Na-2H]- | 6418.0143 | 311.5 |
[M]+ | 6397.0391 | 311.5 |
[M]- | 6397.0401 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.