CID 16130768
T c c t g g a g g c t g c a c g a c a c
Structural Information
- Molecular Formula
- C193H245N77O120P20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=O)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)C)OP(=O)(O)OCC9C(CC(O9)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)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=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/C193H245N77O120P20/c1-75-38-258(191(288)248-169(75)272)132-25-85(99(359-132)42-332-391(291,292)293)378-399(308,309)335-44-101-79(19-126(354-101)252-12-5-119(195)230-185(252)282)372-393(296,297)334-43-100-80(20-127(353-100)253-13-6-120(196)231-186(253)283)373-394(298,299)340-49-106-87(27-134(360-106)260-40-77(3)171(274)250-193(260)290)380-401(312,313)348-57-114-95(35-142(368-114)268-72-226-152-166(268)239-181(208)245-175(152)278)389-409(328,329)351-60-117-96(36-143(371-117)269-73-227-153-167(269)240-182(209)246-176(153)279)388-408(326,327)345-54-111-91(31-138(365-111)264-68-222-148-158(204)214-64-218-162(148)264)384-406(322,323)349-58-115-97(37-144(369-115)270-74-228-154-168(270)241-183(210)247-177(154)280)390-410(330,331)350-59-116-93(33-140(370-116)266-70-224-150-164(266)237-179(206)243-173(150)276)386-405(320,321)338-47-104-81(21-128(357-104)254-14-7-121(197)232-187(254)284)374-395(300,301)341-50-107-86(26-133(361-107)259-39-76(2)170(273)249-192(259)289)379-400(310,311)347-56-113-92(32-139(367-113)265-69-223-149-163(265)236-178(205)242-172(149)275)385-404(318,319)339-48-105-83(23-130(358-105)256-16-9-123(199)234-189(256)286)376-397(304,305)343-52-109-89(29-136(363-109)262-66-220-146-156(202)212-62-216-160(146)262)382-402(314,315)337-46-103-84(24-131(356-103)257-17-10-124(200)235-190(257)287)377-398(306,307)346-55-112-94(34-141(366-112)267-71-225-151-165(267)238-180(207)244-174(151)277)387-407(324,325)344-53-110-90(30-137(364-110)263-67-221-147-157(203)213-63-217-161(147)263)383-403(316,317)336-45-102-82(22-129(355-102)255-15-8-122(198)233-188(255)285)375-396(302,303)342-51-108-88(28-135(362-108)261-65-219-145-155(201)211-61-215-159(145)261)381-392(294,295)333-41-98-78(271)18-125(352-98)251-11-4-118(194)229-184(251)281/h4-17,38-40,61-74,78-117,125-144,271H,18-37,41-60H2,1-3H3,(H,294,295)(H,296,297)(H,298,299)(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)(H2,194,229,281)(H2,195,230,282)(H2,196,231,283)(H2,197,232,284)(H2,198,233,285)(H2,199,234,286)(H2,200,235,287)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,248,272,288)(H,249,273,289)(H,250,274,290)(H2,291,292,293)(H3,205,236,242,275)(H3,206,237,243,276)(H3,207,238,244,277)(H3,208,239,245,278)(H3,209,240,246,279)(H3,210,241,247,280)
- InChIKey
- DXUNETBVHMHZSQ-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[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-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphoryl]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]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]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-[[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]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6181.0263 | 311.5 |
[M+Na]+ | 6203.0082 | 311.5 |
[M-H]- | 6179.0117 | 311.5 |
[M+NH4]+ | 6198.0528 | 311.5 |
[M+K]+ | 6218.9822 | 311.5 |
[M+H-H2O]+ | 6163.0163 | 311.5 |
[M+HCOO]- | 6225.0172 | 311.5 |
[M+CH3COO]- | 6239.0329 | 311.5 |
[M+Na-2H]- | 6200.9937 | 311.5 |
[M]+ | 6180.0185 | 311.5 |
[M]- | 6180.0195 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.