CID 16134102
5'-d(gggtgggigggtgggt)-3'
Structural Information
- Molecular Formula
- C163H203N70O99P15
- 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(OC1CO)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C(=O)NCCCN)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C163H203N70O99P15/c1-55-23-218(160(253)214-131(55)236)91-7-59(235)76(303-91)28-287-333(257,258)322-64-12-96(223-44-179-108-120(223)191-149(166)203-137(108)242)308-81(64)33-295-341(273,274)330-72-20-104(231-52-187-116-128(231)199-157(174)211-145(116)250)315-88(72)40-299-343(277,278)327-69-17-101(228-49-184-113-125(228)196-154(171)208-142(113)247)309-82(69)34-292-335(261,262)320-62-10-93(220-25-57(3)133(238)216-162(220)255)305-78(62)30-290-339(269,270)324-67-15-99(226-47-182-111-123(226)194-152(169)206-140(111)245)313-86(67)38-297-346(283,284)331-73-21-105(232-53-188-117-129(232)200-158(175)212-146(117)251)317-90(73)42-301-345(281,282)329-71-19-103(230-51-186-115-127(230)198-156(173)210-144(115)249)311-84(71)36-294-337(265,266)321-63-11-94(221-26-58(135(240)217-163(221)256)134(239)177-6-4-5-164)306-79(63)31-291-340(271,272)325-68-16-100(227-48-183-112-124(227)195-153(170)207-141(112)246)314-87(68)39-298-347(285,286)332-74-22-106(233-54-189-118-130(233)201-159(176)213-147(118)252)316-89(74)41-300-344(279,280)328-70-18-102(229-50-185-114-126(229)197-155(172)209-143(114)248)310-83(70)35-293-336(263,264)319-61-9-92(219-24-56(2)132(237)215-161(219)254)304-77(61)29-289-338(267,268)323-66-14-98(225-46-181-110-122(225)193-151(168)205-139(110)244)312-85(66)37-296-342(275,276)326-65-13-97(224-45-180-109-121(224)192-150(167)204-138(109)243)307-80(65)32-288-334(259,260)318-60-8-95(302-75(60)27-234)222-43-178-107-119(222)190-148(165)202-136(107)241/h23-26,43-54,59-106,234-235H,4-22,27-42,164H2,1-3H3,(H,177,239)(H,257,258)(H,259,260)(H,261,262)(H,263,264)(H,265,266)(H,267,268)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,214,236,253)(H,215,237,254)(H,216,238,255)(H,217,240,256)(H3,165,190,202,241)(H3,166,191,203,242)(H3,167,192,204,243)(H3,168,193,205,244)(H3,169,194,206,245)(H3,170,195,207,246)(H3,171,196,208,247)(H3,172,197,209,248)(H3,173,198,210,249)(H3,174,199,211,250)(H3,175,200,212,251)(H3,176,201,213,252)
- InChIKey
- ADVLXQWCURIXEJ-UHFFFAOYSA-N
- Compound name
- [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-[[[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-(hydroxymethyl)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-(3-aminopropylcarbamoyl)-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]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5189.9140 | 311.5 |
[M+Na]+ | 5211.8959 | 311.5 |
[M-H]- | 5187.8994 | 311.5 |
[M+NH4]+ | 5206.9405 | 311.5 |
[M+K]+ | 5227.8699 | 311.5 |
[M+H-H2O]+ | 5171.9040 | 311.5 |
[M+HCOO]- | 5233.9049 | 311.5 |
[M+CH3COO]- | 5247.9206 | 311.5 |
[M+Na-2H]- | 5209.8814 | 311.5 |
[M]+ | 5188.9062 | 311.5 |
[M]- | 5188.9072 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.