CID 16130135
5'-cca uuu uca gaa uug ggu gu-3-
Structural Information
- Molecular Formula
- C189H233N70O142P19
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)OP(=O)(O)OCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O)OCC8C(C(C(O8)N9C=CC(=O)NC9=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C(N=CN=C21)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=NC2=C1N=C(NC2=O)N)O)OP(=O)(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)OP(=O)(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/C189H233N70O142P19/c190-76-1-12-240(179(295)219-76)155-98(271)117(56(23-260)363-155)383-403(308,309)345-25-58-118(99(272)156(365-58)241-13-2-77(191)220-180(241)296)384-409(320,321)354-34-67-127(108(281)165(374-67)251-47-210-87-136(193)202-43-206-140(87)251)394-413(328,329)351-31-64-123(104(277)161(371-64)247-19-8-83(265)226-186(247)302)389-407(316,317)349-29-62-122(103(276)160(369-62)246-18-7-82(264)225-185(246)301)388-406(314,315)348-28-61-121(102(275)159(368-61)245-17-6-81(263)224-184(245)300)387-405(312,313)347-27-60-120(101(274)158(367-60)244-16-5-80(262)223-183(244)299)386-404(310,311)346-26-59-119(100(273)157(366-59)242-14-3-78(192)221-181(242)297)385-410(322,323)355-35-68-129(110(283)167(375-68)253-49-212-89-138(195)204-45-208-142(89)253)397-417(336,337)360-40-73-134(115(288)172(380-73)258-54-217-94-147(258)233-177(200)238-152(94)293)399-418(338,339)357-37-70-130(111(284)168(377-70)254-50-213-90-139(196)205-46-209-143(90)254)396-416(334,335)356-36-69-128(109(282)166(376-69)252-48-211-88-137(194)203-44-207-141(88)252)395-414(330,331)352-32-65-124(105(278)162(372-65)248-20-9-84(266)227-187(248)303)390-408(318,319)350-30-63-125(106(279)163(370-63)249-21-10-85(267)228-188(249)304)391-412(326,327)359-39-72-133(114(287)171(379-72)257-53-216-93-146(257)232-176(199)237-151(93)292)400-419(340,341)362-42-75-135(116(289)173(382-75)259-55-218-95-148(259)234-178(201)239-153(95)294)401-420(342,343)361-41-74-132(113(286)170(381-74)256-52-215-92-145(256)231-175(198)236-150(92)291)398-415(332,333)353-33-66-126(107(280)164(373-66)250-22-11-86(268)229-189(250)305)392-411(324,325)358-38-71-131(112(285)169(378-71)255-51-214-91-144(255)230-174(197)235-149(91)290)393-402(306,307)344-24-57-96(269)97(270)154(364-57)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,308,309)(H,310,311)(H,312,313)(H,314,315)(H,316,317)(H,318,319)(H,320,321)(H,322,323)(H,324,325)(H,326,327)(H,328,329)(H,330,331)(H,332,333)(H,334,335)(H,336,337)(H,338,339)(H,340,341)(H,342,343)(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
- PXTSOIBCZQCVIL-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-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]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]+ | 6343.8253 | 311.5 |
[M+Na]+ | 6365.8072 | 311.5 |
[M-H]- | 6341.8107 | 311.5 |
[M+NH4]+ | 6360.8518 | 311.5 |
[M+K]+ | 6381.7812 | 311.5 |
[M+H-H2O]+ | 6325.8153 | 311.5 |
[M+HCOO]- | 6387.8162 | 311.5 |
[M+CH3COO]- | 6401.8319 | 311.5 |
[M+Na-2H]- | 6363.7927 | 311.5 |
[M]+ | 6342.8175 | 311.5 |
[M]- | 6342.8185 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.