CID 16131572
5'-dgcacggtctgctgcggcggg-3'
Structural Information
- Molecular Formula
- C194H245N79O123P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)O)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=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)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=NC2=C1N=C(NC2=O)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=NC2=C1N=C(NC2=O)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=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C194H245N79O123P20/c1-71-36-260(192(294)251-163(71)275)127-23-81(104(367-127)49-348-413(330,331)393-90-32-136(270-67-221-147-159(270)237-182(208)247-172(147)284)377-113(90)58-357-416(336,337)396-93-35-139(273-70-224-150-162(273)240-185(211)250-175(150)287)372-108(93)53-350-402(308,309)381-78-20-124(257-13-7-117(198)228-189(257)291)361-98(78)43-342-409(322,323)389-85-26-130(263-60-214-140-151(201)212-59-213-152(140)263)369-105(85)50-349-401(306,307)380-77-19-123(256-12-6-116(197)227-188(256)290)360-97(77)42-341-408(320,321)387-84-27-131(368-95(84)40-338-397(297,298)299)265-62-216-142-154(265)232-177(203)242-167(142)279)384-405(314,315)340-41-96-75(17-121(359-96)254-10-4-114(195)225-186(254)288)378-399(302,303)346-47-102-82(24-128(365-102)261-37-72(2)164(276)252-193(261)295)385-406(316,317)353-55-110-87(29-133(374-110)267-64-218-144-156(267)234-179(205)244-169(144)281)390-410(324,325)343-44-99-76(18-122(362-99)255-11-5-115(196)226-187(255)289)379-400(304,305)347-48-103-83(25-129(366-103)262-38-73(3)165(277)253-194(262)296)386-407(318,319)354-56-111-88(30-134(375-111)268-65-219-145-157(268)235-180(206)245-170(145)282)391-411(326,327)344-45-100-79(21-125(363-100)258-14-8-118(199)229-190(258)292)382-404(312,313)352-54-109-92(34-138(373-109)272-69-223-149-161(272)239-184(210)249-174(149)286)395-415(334,335)356-57-112-89(31-135(376-112)269-66-220-146-158(269)236-181(207)246-171(146)283)392-412(328,329)345-46-101-80(22-126(364-101)259-15-9-119(200)230-191(259)293)383-403(310,311)351-52-107-91(33-137(371-107)271-68-222-148-160(271)238-183(209)248-173(148)285)394-414(332,333)355-51-106-86(28-132(370-106)266-63-217-143-155(266)233-178(204)243-168(143)280)388-398(300,301)339-39-94-74(274)16-120(358-94)264-61-215-141-153(264)231-176(202)241-166(141)278/h4-15,36-38,59-70,74-113,120-139,274H,16-35,39-58H2,1-3H3,(H,300,301)(H,302,303)(H,304,305)(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)(H2,195,225,288)(H2,196,226,289)(H2,197,227,290)(H2,198,228,291)(H2,199,229,292)(H2,200,230,293)(H2,201,212,213)(H,251,275,294)(H,252,276,295)(H,253,277,296)(H2,297,298,299)(H3,202,231,241,278)(H3,203,232,242,279)(H3,204,233,243,280)(H3,205,234,244,281)(H3,206,235,245,282)(H3,207,236,246,283)(H3,208,237,247,284)(H3,209,238,248,285)(H3,210,239,249,286)(H3,211,240,250,287)
- InChIKey
- GWUHENKKFIXFFX-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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]oxy-5-(4-amino-2-oxopyrimidin-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]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]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]methyl [5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6269.0173 | 311.5 |
[M+Na]+ | 6290.9992 | 311.5 |
[M-H]- | 6267.0027 | 311.5 |
[M+NH4]+ | 6286.0438 | 311.5 |
[M+K]+ | 6306.9732 | 311.5 |
[M+H-H2O]+ | 6251.0073 | 311.5 |
[M+HCOO]- | 6313.0082 | 311.5 |
[M+CH3COO]- | 6327.0239 | 311.5 |
[M+Na-2H]- | 6288.9847 | 311.5 |
[M]+ | 6268.0095 | 311.5 |
[M]- | 6268.0105 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.