CID 16197349
Gag atc cta cct tgt tat gt
Structural Information
- Molecular Formula
- C196H250N68O125P20
- 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)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1COP(=O)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)O
- InChI
- InChI=1S/C196H250N68O125P20/c1-77-37-249(189(282)237-169(77)266)129-17-85(265)105(351-129)45-332-391(293,294)383-102-34-146(262-74-222-154-166(262)230-182(206)234-178(154)275)368-122(102)62-348-401(313,314)381-96-28-140(256-44-84(8)176(273)244-196(256)289)361-116(96)56-342-405(321,322)385-99-30-142(258-70-218-150-158(202)210-66-214-162(150)258)365-119(99)59-345-400(311,312)379-94-26-138(254-42-82(6)174(271)242-194(254)287)358-113(94)53-339-398(307,308)377-92-24-136(252-40-80(4)172(269)240-192(252)285)362-117(92)57-343-407(325,326)388-103-35-147(263-75-223-155-167(263)231-183(207)235-179(155)276)369-123(103)63-349-402(315,316)380-95-27-139(255-43-83(7)175(272)243-195(255)288)359-114(95)54-340-397(305,306)376-91-23-135(251-39-79(3)171(268)239-191(251)284)356-111(91)51-337-394(299,300)373-88-20-132(247-15-11-127(199)227-187(247)280)353-108(88)48-334-393(297,298)372-87-19-131(246-14-10-126(198)226-186(246)279)355-110(87)50-336-404(319,320)384-98-29-141(257-69-217-149-157(201)209-65-213-161(149)257)364-118(98)58-344-399(309,310)378-93-25-137(253-41-81(5)173(270)241-193(253)286)357-112(93)52-338-395(301,302)374-89-21-133(248-16-12-128(200)228-188(248)281)352-107(89)47-333-392(295,296)371-86-18-130(245-13-9-125(197)225-185(245)278)354-109(86)49-335-396(303,304)375-90-22-134(250-38-78(2)170(267)238-190(250)283)360-115(90)55-341-406(323,324)386-100-31-143(259-71-219-151-159(203)211-67-215-163(151)259)367-121(100)61-347-409(329,330)389-104-36-148(264-76-224-156-168(264)232-184(208)236-180(156)277)370-124(104)64-350-408(327,328)387-101-32-144(260-72-220-152-160(204)212-68-216-164(152)260)366-120(101)60-346-403(317,318)382-97-33-145(363-106(97)46-331-390(290,291)292)261-73-221-153-165(261)229-181(205)233-177(153)274/h9-16,37-44,65-76,85-124,129-148,265H,17-36,45-64H2,1-8H3,(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)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H2,197,225,278)(H2,198,226,279)(H2,199,227,280)(H2,200,228,281)(H2,201,209,213)(H2,202,210,214)(H2,203,211,215)(H2,204,212,216)(H,237,266,282)(H,238,267,283)(H,239,268,284)(H,240,269,285)(H,241,270,286)(H,242,271,287)(H,243,272,288)(H,244,273,289)(H2,290,291,292)(H3,205,229,233,274)(H3,206,230,234,275)(H3,207,231,235,276)(H3,208,232,236,277)
- InChIKey
- UDMOMXULJZMQNB-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)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]-5-(6-aminopurin-9-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]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6176.0123 | 311.5 |
[M+Na]+ | 6197.9942 | 311.5 |
[M-H]- | 6173.9977 | 311.5 |
[M+NH4]+ | 6193.0388 | 311.5 |
[M+K]+ | 6213.9682 | 311.5 |
[M+H-H2O]+ | 6158.0023 | 311.5 |
[M+HCOO]- | 6220.0032 | 311.5 |
[M+CH3COO]- | 6234.0189 | 311.5 |
[M+Na-2H]- | 6195.9797 | 311.5 |
[M]+ | 6175.0045 | 311.5 |
[M]- | 6175.0055 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.