CID 16204617
5'-ctctcgcacccatctctctccttct-3'
Structural Information
- Molecular Formula
- C237H311N72O133P25S25
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C237H311N72O133P25S25/c1-100-61-298(229(334)276-205(100)311)172-36-109(310)134(394-172)70-370-444(345,469)420-111-38-174(286-24-11-160(239)262-217(286)322)396-136(111)72-374-457(358,482)437-128-55-191(304-67-106(7)211(317)282-235(304)340)414-154(128)90-389-464(365,489)439-130-57-193(306-69-108(9)213(319)284-237(306)342)413-153(130)89-388-449(350,474)424-115-42-178(290-28-15-164(243)266-221(290)326)398-138(115)74-372-447(348,472)422-113-40-176(288-26-13-162(241)264-219(288)324)400-140(113)76-375-459(360,484)433-124-51-187(300-63-102(3)207(313)278-231(300)336)409-149(124)85-384-451(352,476)426-117-44-180(292-30-17-166(245)268-223(292)328)402-142(117)78-377-460(361,485)434-125-52-188(301-64-103(4)208(314)279-232(301)337)410-150(125)86-385-452(353,477)427-118-45-181(293-31-18-167(246)269-224(293)329)403-143(118)79-378-461(362,486)435-126-53-189(302-65-104(5)209(315)280-233(302)338)411-151(126)87-386-453(354,478)428-119-46-182(294-32-19-168(247)270-225(294)330)404-144(119)80-379-463(364,488)438-129-56-192(305-68-107(8)212(318)283-236(305)341)415-155(129)91-390-467(368,492)441-132-59-195(308-98-259-198-201(252)255-96-257-203(198)308)417-157(132)93-392-454(355,479)429-120-47-183(295-33-20-169(248)271-226(295)331)399-139(120)75-373-446(347,471)421-112-39-175(287-25-12-161(240)263-218(287)323)397-137(112)73-371-448(349,473)423-114-41-177(289-27-14-163(242)265-220(289)325)406-146(114)82-381-465(366,490)440-131-58-194(307-97-258-197-200(251)254-95-256-202(197)307)416-156(131)92-391-455(356,480)430-122-49-185(297-35-22-171(250)273-228(297)333)407-147(122)83-382-466(367,491)442-133-60-196(309-99-260-199-204(309)274-215(253)275-214(199)320)418-158(133)94-393-456(357,481)431-121-48-184(296-34-21-170(249)272-227(296)332)405-145(121)81-380-462(363,487)436-127-54-190(303-66-105(6)210(316)281-234(303)339)412-152(127)88-387-450(351,475)425-116-43-179(291-29-16-165(244)267-222(291)327)401-141(116)77-376-458(359,483)432-123-50-186(299-62-101(2)206(312)277-230(299)335)408-148(123)84-383-445(346,470)419-110-37-173(285-23-10-159(238)261-216(285)321)395-135(110)71-369-443(343,344)468/h10-35,61-69,95-99,109-158,172-196,310H,36-60,70-94H2,1-9H3,(H,345,469)(H,346,470)(H,347,471)(H,348,472)(H,349,473)(H,350,474)(H,351,475)(H,352,476)(H,353,477)(H,354,478)(H,355,479)(H,356,480)(H,357,481)(H,358,482)(H,359,483)(H,360,484)(H,361,485)(H,362,486)(H,363,487)(H,364,488)(H,365,489)(H,366,490)(H,367,491)(H,368,492)(H2,238,261,321)(H2,239,262,322)(H2,240,263,323)(H2,241,264,324)(H2,242,265,325)(H2,243,266,326)(H2,244,267,327)(H2,245,268,328)(H2,246,269,329)(H2,247,270,330)(H2,248,271,331)(H2,249,272,332)(H2,250,273,333)(H2,251,254,256)(H2,252,255,257)(H,276,311,334)(H,277,312,335)(H,278,313,336)(H,279,314,337)(H,280,315,338)(H,281,316,339)(H,282,317,340)(H,283,318,341)(H,284,319,342)(H2,343,344,468)(H3,253,274,275,320)
- InChIKey
- OVESUQQPGVOTKW-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 7867.6318 | 311.5 |
[M+Na]+ | 7889.6137 | 311.5 |
[M-H]- | 7865.6172 | 311.5 |
[M+NH4]+ | 7884.6583 | 311.5 |
[M+K]+ | 7905.5877 | 311.5 |
[M+H-H2O]+ | 7849.6218 | 311.5 |
[M+HCOO]- | 7911.6227 | 311.5 |
[M+CH3COO]- | 7925.6384 | 311.5 |
[M+Na-2H]- | 7887.5992 | 311.5 |
[M]+ | 7866.6240 | 311.5 |
[M]- | 7866.6250 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.