CID 16131569
5'-dccgggagggggggtcctgga-3'
Structural Information
- Molecular Formula
- C196H243N86O118P19
- 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(OC1CO)N1C=CC(=NC1=O)N)N1C=CC(=NC1=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=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)O
- InChI
- InChI=1S/C196H243N86O118P19/c1-69-31-267(195(303)261-165(69)285)120-16-76(386-406(315,316)346-37-95-74(14-118(366-95)265-9-5-113(199)235-193(265)301)383-403(309,310)345-36-94-75(15-119(365-94)266-10-6-114(200)236-194(266)302)384-404(311,312)347-38-96-77(17-121(367-96)268-32-70(2)166(286)262-196(268)304)387-407(317,318)351-43-101-82(22-126(372-101)274-60-224-140-156(274)240-182(206)252-170(140)290)393-411(325,326)353-41-99-79(19-123(370-99)271-57-221-137-153(271)237-179(203)249-167(137)287)388-401(305,306)343-34-92-71(284)11-115(363-92)269-55-219-135-149(201)215-53-217-151(135)269)97(368-120)39-348-408(319,320)390-80-20-124(272-58-222-138-154(272)238-180(204)250-168(138)288)374-103(80)45-354-413(329,330)395-85-25-129(277-63-227-143-159(277)243-185(209)255-173(143)293)378-107(85)49-358-416(335,336)398-88-28-132(280-66-230-146-162(280)246-188(212)258-176(146)296)380-109(88)51-360-418(339,340)400-90-30-134(282-68-232-148-164(282)248-190(214)260-178(148)298)381-110(90)52-361-419(341,342)399-89-29-133(281-67-231-147-163(281)247-189(213)259-177(147)297)379-108(89)50-359-417(337,338)397-87-27-131(279-65-229-145-161(279)245-187(211)257-175(145)295)377-106(87)48-357-414(331,332)394-84-24-128(276-62-226-142-158(276)242-184(208)254-172(142)292)373-102(84)44-352-409(321,322)389-78-18-122(270-56-220-136-150(202)216-54-218-152(136)270)369-98(78)40-349-410(323,324)391-83-23-127(275-61-225-141-157(275)241-183(207)253-171(141)291)375-104(83)46-355-415(333,334)396-86-26-130(278-64-228-144-160(278)244-186(210)256-174(144)294)376-105(86)47-356-412(327,328)392-81-21-125(273-59-223-139-155(273)239-181(205)251-169(139)289)371-100(81)42-350-405(313,314)385-73-13-117(264-8-4-112(198)234-192(264)300)364-93(73)35-344-402(307,308)382-72-12-116(362-91(72)33-283)263-7-3-111(197)233-191(263)299/h3-10,31-32,53-68,71-110,115-134,283-284H,11-30,33-52H2,1-2H3,(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(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)(H2,197,233,299)(H2,198,234,300)(H2,199,235,301)(H2,200,236,302)(H2,201,215,217)(H2,202,216,218)(H,261,285,303)(H,262,286,304)(H3,203,237,249,287)(H3,204,238,250,288)(H3,205,239,251,289)(H3,206,240,252,290)(H3,207,241,253,291)(H3,208,242,254,292)(H3,209,243,255,293)(H3,210,244,256,294)(H3,211,245,257,295)(H3,212,246,258,296)(H3,213,247,259,297)(H3,214,248,260,298)
- InChIKey
- PQKSSXOLBCPRNU-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-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)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-(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] [5-(6-aminopurin-9-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]+ | 6278.0747 | 311.5 |
[M+Na]+ | 6300.0566 | 311.5 |
[M-H]- | 6276.0601 | 311.5 |
[M+NH4]+ | 6295.1012 | 311.5 |
[M+K]+ | 6316.0306 | 311.5 |
[M+H-H2O]+ | 6260.0647 | 311.5 |
[M+HCOO]- | 6322.0656 | 311.5 |
[M+CH3COO]- | 6336.0813 | 311.5 |
[M+Na-2H]- | 6298.0421 | 311.5 |
[M]+ | 6277.0669 | 311.5 |
[M]- | 6277.0679 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.