CID 16131567
5'-dtaggattcgtgctcatggtg-3'
Structural Information
- Molecular Formula
- C197H248N73O122P19
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=C(NC8=O)N)OP(=O)(O)OCC9C(CC(O9)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=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)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=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=C(C(=O)NC1=O)C)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=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=NC2=C1N=C(NC2=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)O
- InChI
- InChI=1S/C197H248N73O122P19/c1-74-34-254(191(290)244-167(74)273)128-15-82(101(41-271)354-128)374-394(299,300)336-52-112-92(25-135(365-112)261-64-217-144-154(201)211-61-214-157(144)261)386-408(327,328)351-58-118-100(33-143(371-118)270-73-226-153-166(270)236-187(210)243-180(153)286)392-411(333,334)353-60-120-99(32-142(373-120)269-72-225-152-165(269)235-186(209)242-179(152)285)390-409(329,330)347-54-114-94(27-137(367-114)263-66-219-146-156(203)213-63-216-159(146)263)385-405(321,322)342-49-109-89(22-132(362-109)258-38-78(5)171(277)248-195(258)294)381-400(311,312)341-48-108-88(21-131(361-108)257-37-77(4)170(276)247-194(257)293)380-399(309,310)338-44-104-85(18-127(357-104)253-13-10-123(200)229-190(253)289)377-397(305,306)348-55-115-96(29-139(368-115)266-69-222-149-162(266)232-183(206)239-176(149)282)388-407(325,326)345-51-111-91(24-134(364-111)260-40-80(7)173(279)250-197(260)296)383-401(313,314)349-56-116-95(28-138(369-116)265-68-221-148-161(265)231-182(205)238-175(148)281)387-403(317,318)339-45-105-83(16-125(358-105)251-11-8-121(198)227-188(251)287)375-395(301,302)340-47-107-87(20-130(360-107)256-36-76(3)169(275)246-193(256)292)379-398(307,308)337-43-103-84(17-126(356-103)252-12-9-122(199)228-189(252)288)376-396(303,304)346-53-113-93(26-136(366-113)262-65-218-145-155(202)212-62-215-158(145)262)384-404(319,320)343-50-110-90(23-133(363-110)259-39-79(6)172(278)249-196(259)295)382-402(315,316)350-57-117-98(31-141(370-117)268-71-224-151-164(268)234-185(208)241-178(151)284)391-410(331,332)352-59-119-97(30-140(372-119)267-70-223-150-163(267)233-184(207)240-177(150)283)389-406(323,324)344-46-106-86(19-129(359-106)255-35-75(2)168(274)245-192(255)291)378-393(297,298)335-42-102-81(272)14-124(355-102)264-67-220-147-160(264)230-181(204)237-174(147)280/h8-13,34-40,61-73,81-120,124-143,271-272H,14-33,41-60H2,1-7H3,(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)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H2,198,227,287)(H2,199,228,288)(H2,200,229,289)(H2,201,211,214)(H2,202,212,215)(H2,203,213,216)(H,244,273,290)(H,245,274,291)(H,246,275,292)(H,247,276,293)(H,248,277,294)(H,249,278,295)(H,250,279,296)(H3,204,230,237,280)(H3,205,231,238,281)(H3,206,232,239,282)(H3,207,233,240,283)(H3,208,234,241,284)(H3,209,235,242,285)(H3,210,236,243,286)
- InChIKey
- JSAZGJNDEORPNZ-UHFFFAOYSA-N
- Compound name
- [3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[3-[[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-hydroxyoxolan-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-(5-methyl-2,4-dioxopyrimidin-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]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]oxyoxolan-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]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6177.0533 | 311.5 |
[M+Na]+ | 6199.0352 | 311.5 |
[M-H]- | 6175.0387 | 311.5 |
[M+NH4]+ | 6194.0798 | 311.5 |
[M+K]+ | 6215.0092 | 311.5 |
[M+H-H2O]+ | 6159.0433 | 311.5 |
[M+HCOO]- | 6221.0442 | 311.5 |
[M+CH3COO]- | 6235.0599 | 311.5 |
[M+Na-2H]- | 6197.0207 | 311.5 |
[M]+ | 6176.0455 | 311.5 |
[M]- | 6176.0465 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.