CID 16131574
5'-dgggggtcctggaggctgcac-3'
Structural Information
- Molecular Formula
- C195H244N81O119P19
- 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(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=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)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=C(N=CN=C21)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=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=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
- InChI
- InChI=1S/C195H244N81O119P19/c1-71-34-262(193(297)254-165(71)279)124-20-80(102(365-124)45-346-407(322,323)389-88-28-133(271-65-223-145-159(271)238-182(207)248-172(145)286)373-110(88)53-354-413(334,335)394-93-33-138(276-70-228-150-164(276)243-187(212)253-177(150)291)376-113(93)56-356-414(336,337)395-92-32-137(275-69-227-149-163(275)242-186(211)252-176(149)290)375-112(92)55-352-410(328,329)390-85-25-130(268-62-220-142-156(268)235-179(204)245-169(142)283)368-105(85)48-339-397(302,303)377-75-15-129(357-94(75)37-277)267-61-219-141-155(267)234-178(203)244-168(141)282)382-402(312,313)341-40-97-76(16-120(360-97)258-10-5-115(197)230-189(258)293)378-398(304,305)340-39-96-77(17-121(359-96)259-11-6-116(198)231-190(259)294)379-399(306,307)344-43-100-82(22-126(363-100)264-36-73(3)167(281)256-195(264)299)384-404(316,317)350-50-107-89(29-134(370-107)272-66-224-146-160(272)239-183(208)249-173(146)287)392-411(330,331)355-54-111-90(30-135(374-111)273-67-225-147-161(273)240-184(209)250-174(147)288)391-409(326,327)348-47-104-84(24-128(367-104)266-60-218-140-152(202)214-58-216-154(140)266)386-408(324,325)351-51-108-91(31-136(371-108)274-68-226-148-162(274)241-185(210)251-175(148)289)393-412(332,333)353-52-109-87(27-132(372-109)270-64-222-144-158(270)237-181(206)247-171(144)285)388-406(320,321)342-41-98-78(18-122(361-98)260-12-7-117(199)232-191(260)295)380-400(308,309)345-44-101-81(21-125(364-101)263-35-72(2)166(280)255-194(263)298)383-403(314,315)349-49-106-86(26-131(369-106)269-63-221-143-157(269)236-180(205)246-170(143)284)387-405(318,319)343-42-99-79(19-123(362-99)261-13-8-118(200)233-192(261)296)381-401(310,311)347-46-103-83(23-127(366-103)265-59-217-139-151(201)213-57-215-153(139)265)385-396(300,301)338-38-95-74(278)14-119(358-95)257-9-4-114(196)229-188(257)292/h4-13,34-36,57-70,74-113,119-138,277-278H,14-33,37-56H2,1-3H3,(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)(H2,196,229,292)(H2,197,230,293)(H2,198,231,294)(H2,199,232,295)(H2,200,233,296)(H2,201,213,215)(H2,202,214,216)(H,254,279,297)(H,255,280,298)(H,256,281,299)(H3,203,234,244,282)(H3,204,235,245,283)(H3,205,236,246,284)(H3,206,237,247,285)(H3,207,238,248,286)(H3,208,239,249,287)(H3,209,240,250,288)(H3,210,241,251,289)(H3,211,242,252,290)(H3,212,243,253,291)
- InChIKey
- BJIDANUAKRZCCW-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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-[[[2-[[[2-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6213.0620 | 311.5 |
[M+Na]+ | 6235.0439 | 311.5 |
[M-H]- | 6211.0474 | 311.5 |
[M+NH4]+ | 6230.0885 | 311.5 |
[M+K]+ | 6251.0179 | 311.5 |
[M+H-H2O]+ | 6195.0520 | 311.5 |
[M+HCOO]- | 6257.0529 | 311.5 |
[M+CH3COO]- | 6271.0686 | 311.5 |
[M+Na-2H]- | 6233.0294 | 311.5 |
[M]+ | 6212.0542 | 311.5 |
[M]- | 6212.0552 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.