CID 16131564
5'-dcaccggttccgcagaccactatggctct-3'
Structural Information
- Molecular Formula
- C269H343N100O167P27
- 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)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=NC2=C(N=CN=C21)N)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=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C269H343N100O167P27/c1-107-57-353(264(395)336-235(107)372)180-29-113(371)142(483-180)64-455-537(401,402)511-115-31-182(343-19-8-170(271)314-254(343)385)484-143(115)65-460-548(423,424)521-125-41-192(354-58-108(2)236(373)337-265(354)396)494-153(125)75-467-542(411,412)516-120-36-187(348-24-13-175(276)319-259(348)390)492-151(120)73-465-557(441,442)532-136-52-203(365-102-308-214-230(365)325-248(287)331-242(214)379)508-167(136)89-480-563(453,454)536-139-55-206(368-105-311-217-233(368)328-251(290)334-245(217)382)506-165(139)87-478-552(431,432)525-129-45-196(358-62-112(6)240(377)341-269(358)400)497-156(129)78-470-558(443,444)529-133-49-200(362-99-305-211-222(284)295-94-300-227(211)362)502-161(133)83-474-551(429,430)524-128-44-195(357-61-111(5)239(376)340-268(357)399)495-154(128)76-468-543(413,414)515-119-35-186(347-23-12-174(275)318-258(347)389)491-150(119)72-464-554(435,436)527-131-47-198(360-97-303-209-220(282)293-92-298-225(209)360)500-159(131)81-472-544(415,416)517-121-37-188(349-25-14-176(277)320-260(349)391)485-144(121)66-457-540(407,408)514-118-34-185(346-22-11-173(274)317-257(346)388)490-149(118)71-463-555(437,438)528-132-48-199(361-98-304-210-221(283)294-93-299-226(210)361)503-162(132)84-475-561(449,450)534-140-56-207(369-106-312-218-234(369)329-252(291)335-246(218)383)507-166(140)88-479-560(447,448)530-134-50-201(363-100-306-212-223(285)296-95-301-228(212)363)501-160(134)82-473-545(417,418)518-124-40-191(352-28-17-179(280)323-263(352)394)493-152(124)74-466-556(439,440)531-135-51-202(364-101-307-213-229(364)324-247(286)330-241(213)378)504-163(135)85-476-546(419,420)519-122-38-189(350-26-15-177(278)321-261(350)392)486-145(122)67-458-539(405,406)512-116-32-183(344-20-9-171(272)315-255(344)386)488-147(116)69-461-549(425,426)522-126-42-193(355-59-109(3)237(374)338-266(355)397)496-155(126)77-469-550(427,428)523-127-43-194(356-60-110(4)238(375)339-267(356)398)498-157(127)79-471-559(445,446)533-137-53-204(366-103-309-215-231(366)326-249(288)332-243(215)380)509-168(137)90-481-562(451,452)535-138-54-205(367-104-310-216-232(367)327-250(289)333-244(216)381)505-164(138)86-477-547(421,422)520-123-39-190(351-27-16-178(279)322-262(351)393)487-146(123)68-459-541(409,410)513-117-33-184(345-21-10-172(273)316-256(345)387)489-148(117)70-462-553(433,434)526-130-46-197(359-96-302-208-219(281)292-91-297-224(208)359)499-158(130)80-456-538(403,404)510-114-30-181(482-141(114)63-370)342-18-7-169(270)313-253(342)384/h7-28,57-62,91-106,113-168,180-207,370-371H,29-56,63-90H2,1-6H3,(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H,413,414)(H,415,416)(H,417,418)(H,419,420)(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,429,430)(H,431,432)(H,433,434)(H,435,436)(H,437,438)(H,439,440)(H,441,442)(H,443,444)(H,445,446)(H,447,448)(H,449,450)(H,451,452)(H,453,454)(H2,270,313,384)(H2,271,314,385)(H2,272,315,386)(H2,273,316,387)(H2,274,317,388)(H2,275,318,389)(H2,276,319,390)(H2,277,320,391)(H2,278,321,392)(H2,279,322,393)(H2,280,323,394)(H2,281,292,297)(H2,282,293,298)(H2,283,294,299)(H2,284,295,300)(H2,285,296,301)(H,336,372,395)(H,337,373,396)(H,338,374,397)(H,339,375,398)(H,340,376,399)(H,341,377,400)(H3,286,324,330,378)(H3,287,325,331,379)(H3,288,326,332,380)(H3,289,327,333,381)(H3,290,328,334,382)(H3,291,329,335,383)
- InChIKey
- ZBTUKGXPDRXLAY-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-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[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-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-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-(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-(6-aminopurin-9-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]-5-(6-aminopurin-9-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-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 8482.4413 | 311.5 |
[M+Na]+ | 8504.4232 | 311.5 |
[M-H]- | 8480.4267 | 311.5 |
[M+NH4]+ | 8499.4678 | 311.5 |
[M+K]+ | 8520.3972 | 311.5 |
[M+H-H2O]+ | 8464.4313 | 311.5 |
[M+HCOO]- | 8526.4322 | 311.5 |
[M+CH3COO]- | 8540.4479 | 311.5 |
[M+Na-2H]- | 8502.4087 | 311.5 |
[M]+ | 8481.4335 | 311.5 |
[M]- | 8481.4345 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.