CID 16134051
5'-r(cagccuuguuucuagcagc)-3'
Structural Information
- Molecular Formula
- C178H223N65O134P18
- SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OC3C(OC(C3O)N4C=NC5=C4N=C(NC5=O)N)COP(=O)(O)OC6C(OC(C6O)N7C=NC8=C(N=CN=C87)N)COP(=O)(O)OC9C(OC(C9O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=O)NC1=O)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)OC1C(OC(C1O)N1C=CC(=NC1=O)N)CO)O)O
- InChI
- InChI=1S/C178H223N65O134P18/c179-73-1-13-225(167(275)205-73)144-93(252)92(251)55(342-144)26-323-378(287,288)371-126-69(356-159(108(126)267)240-50-201-88-136(240)217-163(188)221-140(88)271)40-338-393(317,318)373-124-67(354-157(106(124)265)238-48-199-86-131(186)193-45-196-134(86)238)38-335-387(305,306)364-116-59(346-149(98(116)257)230-18-6-78(184)210-172(230)280)30-333-391(313,314)376-129-72(359-162(111(129)270)243-53-204-91-139(243)220-166(191)224-143(91)274)43-340-395(321,322)374-125-68(355-158(107(125)266)239-49-200-87-132(187)194-46-197-135(87)239)39-336-388(307,308)369-121-63(350-154(103(121)262)235-23-11-83(249)215-177(235)285)32-328-382(295,296)363-114-57(344-147(96(114)255)228-16-4-76(182)208-170(228)278)28-326-383(297,298)365-117-61(348-150(99(117)258)231-19-7-79(245)211-173(231)281)33-329-384(299,300)367-119-62(349-152(101(119)260)233-21-9-81(247)213-175(233)283)34-330-386(303,304)368-120-65(352-153(102(120)261)234-22-10-82(248)214-176(234)284)36-334-392(315,316)377-127-70(357-160(109(127)268)241-51-202-89-137(241)218-164(189)222-141(89)272)41-337-389(309,310)370-122-64(351-155(104(122)263)236-24-12-84(250)216-178(236)286)35-331-385(301,302)366-118-60(347-151(100(118)259)232-20-8-80(246)212-174(232)282)31-327-381(293,294)362-113-56(343-146(95(113)254)227-15-3-75(181)207-169(227)277)27-325-380(291,292)361-115-58(345-148(97(115)256)229-17-5-77(183)209-171(229)279)29-332-390(311,312)375-128-71(358-161(110(128)269)242-52-203-90-138(242)219-165(190)223-142(90)273)42-339-394(319,320)372-123-66(353-156(105(123)264)237-47-198-85-130(185)192-44-195-133(85)237)37-324-379(289,290)360-112-54(25-244)341-145(94(112)253)226-14-2-74(180)206-168(226)276/h1-24,44-72,92-129,144-162,244,251-270H,25-43H2,(H,287,288)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,301,302)(H,303,304)(H,305,306)(H,307,308)(H,309,310)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H2,179,205,275)(H2,180,206,276)(H2,181,207,277)(H2,182,208,278)(H2,183,209,279)(H2,184,210,280)(H2,185,192,195)(H2,186,193,196)(H2,187,194,197)(H,211,245,281)(H,212,246,282)(H,213,247,283)(H,214,248,284)(H,215,249,285)(H,216,250,286)(H3,188,217,221,271)(H3,189,218,222,272)(H3,190,219,223,273)(H3,191,220,224,274)
- InChIKey
- CJFKNAAZKFRFAS-UHFFFAOYSA-N
- Compound name
- [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-[[3-[[3-[[3-[[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-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)-4-hydroxyoxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 5972.7983 | 311.5 |
[M+Na]+ | 5994.7802 | 311.5 |
[M-H]- | 5970.7837 | 311.5 |
[M+NH4]+ | 5989.8248 | 311.5 |
[M+K]+ | 6010.7542 | 311.5 |
[M+H-H2O]+ | 5954.7883 | 311.5 |
[M+HCOO]- | 6016.7892 | 311.5 |
[M+CH3COO]- | 6030.8049 | 311.5 |
[M+Na-2H]- | 5992.7657 | 311.5 |
[M]+ | 5971.7905 | 311.5 |
[M]- | 5971.7915 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.