CID 16131561
5'-dtcatgagtctggttgtcgatcgtattg-3'
Structural Information
- Molecular Formula
- C266H337N94O170P27
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C(N=CN=C76)N)OP(=O)(O)OCC8C(CC(O8)N9C=C(C(=O)NC9=O)C)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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)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=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C266H337N94O170P27/c1-101-47-338(256(385)323-225(101)362)175-25-117(140(483-175)59-451-531(396,397)398)509-537(409,410)453-60-141-114(22-172(479-141)335-17-13-167(268)304-253(335)382)506-534(403,404)467-74-155-128(36-186(494-155)349-89-291-197-209(271)283-85-287-213(197)349)520-547(429,430)462-69-150-127(35-185(489-150)348-57-111(11)235(372)333-266(348)395)519-546(427,428)474-81-162-137(45-195(501-162)359-99-301-207-223(359)313-250(281)321-242(207)379)529-556(447,448)470-77-158-131(39-189(497-158)352-92-294-200-212(274)286-88-290-216(200)352)523-554(443,444)476-83-164-134(42-192(503-164)356-96-298-204-220(356)310-247(278)318-239(204)376)526-552(439,440)464-71-152-120(28-178(491-152)341-50-104(4)228(365)326-259(341)388)512-538(411,412)454-61-142-113(21-171(480-142)334-16-12-166(267)303-252(334)381)505-533(401,402)457-65-146-124(32-182(485-146)345-54-108(8)232(369)330-263(345)392)517-544(423,424)475-82-163-138(46-196(502-163)360-100-302-208-224(360)314-251(282)322-243(208)380)530-557(449,450)477-84-165-135(43-193(504-165)357-97-299-205-221(357)311-248(279)319-240(205)377)527-553(441,442)465-72-153-123(31-181(492-153)344-53-107(7)231(368)329-262(344)391)515-542(419,420)459-66-147-125(33-183(486-147)346-55-109(9)233(370)331-264(346)393)518-545(425,426)473-80-161-133(41-191(500-161)355-95-297-203-219(355)309-246(277)317-238(203)375)525-551(437,438)463-70-151-121(29-179(490-151)342-51-105(5)229(366)327-260(342)389)513-540(415,416)456-63-144-116(24-174(482-144)337-19-15-169(270)306-255(337)384)508-536(407,408)472-79-160-136(44-194(499-160)358-98-300-206-222(358)312-249(280)320-241(206)378)528-555(445,446)469-76-157-130(38-188(496-157)351-91-293-199-211(273)285-87-289-215(199)351)522-549(433,434)460-67-148-119(27-177(487-148)340-49-103(3)227(364)325-258(340)387)511-539(413,414)455-62-143-115(23-173(481-143)336-18-14-168(269)305-254(336)383)507-535(405,406)471-78-159-132(40-190(498-159)354-94-296-202-218(354)308-245(276)316-237(202)374)524-550(435,436)466-73-154-126(34-184(493-154)347-56-110(10)234(371)332-265(347)394)516-543(421,422)468-75-156-129(37-187(495-156)350-90-292-198-210(272)284-86-288-214(198)350)521-548(431,432)461-68-149-122(30-180(488-149)343-52-106(6)230(367)328-261(343)390)514-541(417,418)458-64-145-118(26-176(484-145)339-48-102(2)226(363)324-257(339)386)510-532(399,400)452-58-139-112(361)20-170(478-139)353-93-295-201-217(353)307-244(275)315-236(201)373/h12-19,47-57,85-100,112-165,170-196,361H,20-46,58-84H2,1-11H3,(H,399,400)(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)(H2,267,303,381)(H2,268,304,382)(H2,269,305,383)(H2,270,306,384)(H2,271,283,287)(H2,272,284,288)(H2,273,285,289)(H2,274,286,290)(H,323,362,385)(H,324,363,386)(H,325,364,387)(H,326,365,388)(H,327,366,389)(H,328,367,390)(H,329,368,391)(H,330,369,392)(H,331,370,393)(H,332,371,394)(H,333,372,395)(H2,396,397,398)(H3,275,307,315,373)(H3,276,308,316,374)(H3,277,309,317,375)(H3,278,310,318,376)(H3,279,311,319,377)(H3,280,312,320,378)(H3,281,313,321,379)(H3,282,314,322,380)
- InChIKey
- OHFOOGVKVYBBAS-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 8404.3613 | 311.5 |
[M+Na]+ | 8426.3432 | 311.5 |
[M-H]- | 8402.3467 | 311.5 |
[M+NH4]+ | 8421.3878 | 311.5 |
[M+K]+ | 8442.3172 | 311.5 |
[M+H-H2O]+ | 8386.3513 | 311.5 |
[M+HCOO]- | 8448.3522 | 311.5 |
[M+CH3COO]- | 8462.3679 | 311.5 |
[M+Na-2H]- | 8424.3287 | 311.5 |
[M]+ | 8403.3535 | 311.5 |
[M]- | 8403.3545 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.