CID 16204543
5'-tspcttcctctctctaccacgctctspc-3'
Structural Information
- Molecular Formula
- C228H298N69O149P24S2
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)O)OP(=O)(OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)C)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)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=CC(=NC1=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=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=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)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=CC(=NC1=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(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)S
- InChI
- InChI=1S/C228H297N69O149P24S2/c1-96-58-286(220(321)265-197(96)299)177-46-117(141(413-177)79-387-450(336,337)426-108-37-168(277-25-13-156(232)254-211(277)312)402-131(108)69-377-448(332,333)424-106-35-166(275-23-11-154(230)252-209(275)310)404-133(106)71-379-461(358,359)439-121-50-181(290-62-100(5)201(303)269-224(290)325)419-147(121)85-393-463(362,363)440-122-51-182(291-63-101(6)202(304)270-225(291)326)418-146(122)84-392-457(350,351)434-116-45-176(285-33-21-164(240)262-219(285)320)412-152(116)90-399-470(375,472)445-127-56-184(401-130(127)67-376-447(330)331)293-65-103(8)204(306)272-227(293)328)435-458(352,353)380-72-134-109(38-169(405-134)278-26-14-157(233)255-212(278)313)427-451(338,339)388-80-142-118(47-178(414-142)287-59-97(2)198(300)266-221(287)322)436-459(354,355)381-73-135-110(39-170(406-135)279-27-15-158(234)256-213(279)314)428-452(340,341)389-81-143-119(48-179(415-143)288-60-98(3)199(301)267-222(288)323)437-460(356,357)382-74-136-111(40-171(407-136)280-28-16-159(235)257-214(280)315)429-453(342,343)391-83-145-123(52-183(417-145)292-64-102(7)203(305)271-226(292)327)441-464(364,365)395-87-149-125(54-187(422-149)296-94-249-190-193(242)245-92-247-195(190)296)443-466(368,369)384-76-138-107(36-167(409-138)276-24-12-155(231)253-210(276)311)425-449(334,335)378-70-132-113(42-173(403-132)282-30-18-161(237)259-216(282)317)431-455(346,347)394-86-148-124(53-186(421-148)295-93-248-189-192(241)244-91-246-194(189)295)442-465(366,367)385-77-139-114(43-174(410-139)283-31-19-162(238)260-217(283)318)432-456(348,349)396-88-150-126(55-188(423-150)297-95-250-191-196(297)263-207(243)264-206(191)308)444-467(370,371)386-78-140-112(41-172(411-140)281-29-17-160(236)258-215(281)316)430-454(344,345)390-82-144-120(49-180(416-144)289-61-99(4)200(302)268-223(289)324)438-462(360,361)383-75-137-115(44-175(408-137)284-32-20-163(239)261-218(284)319)433-468(372,373)397-89-151-128(57-185(420-151)294-66-104(9)205(307)273-228(294)329)446-469(374,471)398-68-129-105(298)34-165(400-129)274-22-10-153(229)251-208(274)309/h10-33,58-66,91-95,105-152,165-188,298H,34-57,67-90H2,1-9H3,(H63-,229,230,231,232,233,234,235,236,237,238,239,240,241,242,243,244,245,246,247,251,252,253,254,255,256,257,258,259,260,261,262,263,264,265,266,267,268,269,270,271,272,273,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315,316,317,318,319,320,321,322,323,324,325,326,327,328,329,330,331,332,333,334,335,336,337,338,339,340,341,342,343,344,345,346,347,348,349,350,351,352,353,354,355,356,357,358,359,360,361,362,363,364,365,366,367,368,369,370,371,372,373,374,375,471,472)/p+1
- InChIKey
- GBJOMBQAEVJVGI-UHFFFAOYSA-O
- Compound name
- [3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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]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-(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-(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-(4-amino-2-oxopyrimidin-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]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-sulfanylphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxy-oxophosphanium
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 7194.1079 | 311.5 |
[M+Na]+ | 7216.0898 | 311.5 |
[M-H]- | 7192.0933 | 311.5 |
[M+NH4]+ | 7211.1344 | 311.5 |
[M+K]+ | 7232.0638 | 311.5 |
[M+H-H2O]+ | 7176.0979 | 311.5 |
[M+HCOO]- | 7238.0988 | 311.5 |
[M+CH3COO]- | 7252.1145 | 311.5 |
[M+Na-2H]- | 7214.0753 | 311.5 |
[M]+ | 7193.1001 | 311.5 |
[M]- | 7193.1011 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.