CID 16130136
Cca uuu uca gaa uug ggu gu
Structural Information
- Molecular Formula
- C189H233N70O124P19S18
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=S)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)OP(=S)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=S)(O)OCC8C(C(C(O8)N9C=CC(=O)NC9=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=S)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=S)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O
- InChI
- InChI=1S/C189H233N70O124P19S18/c190-76-1-12-240(179(295)219-76)155-98(271)117(56(23-260)345-155)366-385(308,403)328-26-59-119(100(273)156(347-59)241-13-2-77(191)220-180(241)296)367-392(315,410)337-35-68-128(109(282)165(357-68)251-47-210-87-136(193)202-43-206-140(87)251)376-395(318,413)334-32-66-125(106(279)162(354-66)248-20-9-84(266)227-187(248)303)373-390(313,408)332-30-63-124(105(278)161(351-63)247-19-8-83(265)226-186(247)302)372-389(312,407)331-29-62-123(104(277)160(350-62)246-18-7-82(264)225-185(246)301)371-388(311,406)330-28-61-122(103(276)159(349-61)245-17-6-81(263)224-184(245)300)370-387(310,405)329-27-60-120(101(274)157(348-60)242-14-3-78(192)221-181(242)297)368-393(316,411)338-36-69-130(111(284)167(358-69)253-49-212-89-138(195)204-45-208-142(89)253)379-399(322,417)342-40-73-134(115(288)172(362-73)258-54-217-94-147(258)233-177(200)238-152(94)293)381-400(323,418)340-38-71-131(112(285)168(360-71)254-50-213-90-139(196)205-46-209-143(90)254)378-398(321,416)339-37-70-129(110(283)166(359-70)252-48-211-88-137(194)203-44-207-141(88)252)377-396(319,414)335-33-67-126(107(280)163(355-67)249-21-10-85(267)228-188(249)304)374-391(314,409)333-31-64-127(108(281)164(352-64)250-22-11-86(268)229-189(250)305)375-394(317,412)341-39-72-133(114(287)171(361-72)257-53-216-93-146(257)232-176(199)237-151(93)292)382-401(324,419)344-42-75-135(116(289)173(364-75)259-55-218-95-148(259)234-178(201)239-153(95)294)383-402(325,420)343-41-74-132(113(286)170(363-74)256-52-215-92-145(256)231-175(198)236-150(92)291)380-397(320,415)336-34-65-121(102(275)158(353-65)244-16-5-80(262)223-183(244)299)369-386(309,404)327-25-58-118(99(272)169(356-58)255-51-214-91-144(255)230-174(197)235-149(91)290)365-384(306,307)326-24-57-96(269)97(270)154(346-57)243-15-4-79(261)222-182(243)298/h1-22,43-75,96-135,154-173,260,269-289H,23-42H2,(H,306,307)(H,308,403)(H,309,404)(H,310,405)(H,311,406)(H,312,407)(H,313,408)(H,314,409)(H,315,410)(H,316,411)(H,317,412)(H,318,413)(H,319,414)(H,320,415)(H,321,416)(H,322,417)(H,323,418)(H,324,419)(H,325,420)(H2,190,219,295)(H2,191,220,296)(H2,192,221,297)(H2,193,202,206)(H2,194,203,207)(H2,195,204,208)(H2,196,205,209)(H,222,261,298)(H,223,262,299)(H,224,263,300)(H,225,264,301)(H,226,265,302)(H,227,266,303)(H,228,267,304)(H,229,268,305)(H3,197,230,235,290)(H3,198,231,236,291)(H3,199,232,237,292)(H3,200,233,238,293)(H3,201,234,239,294)
- InChIKey
- ZESPZZFSKKCYNX-UHFFFAOYSA-N
- Compound name
- [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-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6631.4140 | 311.5 |
[M+Na]+ | 6653.3959 | 311.5 |
[M-H]- | 6629.3994 | 311.5 |
[M+NH4]+ | 6648.4405 | 311.5 |
[M+K]+ | 6669.3699 | 311.5 |
[M+H-H2O]+ | 6613.4040 | 311.5 |
[M+HCOO]- | 6675.4049 | 311.5 |
[M+CH3COO]- | 6689.4206 | 311.5 |
[M+Na-2H]- | 6651.3814 | 311.5 |
[M]+ | 6630.4062 | 311.5 |
[M]- | 6630.4072 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.