CID 16130773
C c g g t t c c g c a g a c c a c t a t
Structural Information
- Molecular Formula
- C192H246N72O121P20
- 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=CC(=NC1=O)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=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C192H246N72O121P20/c1-77-41-253(189(282)241-169(77)266)129-21-81(265)101(347-129)45-328-387(289,290)378-93-33-141(257-69-217-149-157(201)209-65-213-161(149)257)359-113(93)57-341-398(311,312)377-92-32-140(256-44-80(4)172(269)244-192(256)285)356-110(92)54-336-391(297,298)370-85-25-133(248-16-8-124(196)228-184(248)277)354-108(85)52-334-399(313,314)379-94-34-142(258-70-218-150-158(202)210-66-214-162(150)258)360-114(94)58-339-392(299,300)371-87-27-135(250-18-10-126(198)230-186(250)279)350-104(87)48-330-390(295,296)369-84-24-132(247-15-7-123(195)227-183(247)276)353-107(84)51-333-400(315,316)380-95-35-143(259-71-219-151-159(203)211-67-215-163(151)259)362-116(95)60-342-404(323,324)384-100-40-148(264-76-224-156-168(264)236-180(208)240-176(156)273)365-119(100)63-345-403(321,322)381-96-36-144(260-72-220-152-160(204)212-68-216-164(152)260)361-115(96)59-340-393(301,302)372-89-29-137(252-20-12-128(200)232-188(252)281)355-109(89)53-335-401(317,318)382-97-37-145(261-73-221-153-165(261)233-177(205)237-173(153)270)363-117(97)61-343-395(305,306)374-88-28-136(251-19-11-127(199)231-187(251)280)351-105(88)49-331-389(293,294)368-83-23-131(246-14-6-122(194)226-182(246)275)352-106(83)50-332-396(307,308)375-90-30-138(254-42-78(2)170(267)242-190(254)283)357-111(90)55-337-397(309,310)376-91-31-139(255-43-79(3)171(268)243-191(255)284)358-112(91)56-338-402(319,320)383-98-38-146(262-74-222-154-166(262)234-178(206)238-174(154)271)366-120(98)64-346-405(325,326)385-99-39-147(263-75-223-155-167(263)235-179(207)239-175(155)272)364-118(99)62-344-394(303,304)373-86-26-134(249-17-9-125(197)229-185(249)278)349-103(86)47-329-388(291,292)367-82-22-130(245-13-5-121(193)225-181(245)274)348-102(82)46-327-386(286,287)288/h5-20,41-44,65-76,81-120,129-148,265H,21-40,45-64H2,1-4H3,(H,289,290)(H,291,292)(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)(H2,193,225,274)(H2,194,226,275)(H2,195,227,276)(H2,196,228,277)(H2,197,229,278)(H2,198,230,279)(H2,199,231,280)(H2,200,232,281)(H2,201,209,213)(H2,202,210,214)(H2,203,211,215)(H2,204,212,216)(H,241,266,282)(H,242,267,283)(H,243,268,284)(H,244,269,285)(H2,286,287,288)(H3,205,233,237,270)(H3,206,234,238,271)(H3,207,235,239,272)(H3,208,236,240,273)
- InChIKey
- ASGQAHAPFIHQIF-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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-[hydroxy-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl]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-(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]methoxy-hydroxyphosphoryl]oxyoxolan-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]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-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]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]methyl [5-(4-amino-2-oxopyrimidin-1-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]+ | 6116.0136 | 311.5 |
[M+Na]+ | 6137.9955 | 311.5 |
[M-H]- | 6113.9990 | 311.5 |
[M+NH4]+ | 6133.0401 | 311.5 |
[M+K]+ | 6153.9695 | 311.5 |
[M+H-H2O]+ | 6098.0036 | 311.5 |
[M+HCOO]- | 6160.0045 | 311.5 |
[M+CH3COO]- | 6174.0202 | 311.5 |
[M+Na-2H]- | 6135.9810 | 311.5 |
[M]+ | 6115.0058 | 311.5 |
[M]- | 6115.0068 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.