CID 16131568
5'-dcactatgtctctcccgggag-3'
Structural Information
- Molecular Formula
- C193H246N71O120P19
- 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(OC1CO)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)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)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=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)O
- InChI
- InChI=1S/C193H246N71O120P19/c1-76-40-252(189(284)240-167(76)267)136-28-89(373-393(305,306)331-49-105-84(23-131(350-105)247-15-8-123(196)225-184(247)279)368-388(295,296)329-47-103-83(22-130(348-103)246-14-7-122(195)224-183(246)278)367-387(293,294)330-48-104-88(27-135(349-104)251-19-12-127(200)229-188(251)283)372-392(303,304)342-61-117-98(37-145(362-117)262-73-220-153-164(262)232-179(206)237-174(153)274)383-402(323,324)345-64-120-100(39-147(365-120)264-75-222-155-166(264)234-181(208)239-176(155)276)384-403(325,326)344-63-119-99(38-146(364-119)263-74-221-154-165(263)233-180(207)238-175(154)275)382-401(321,322)341-59-115-94(33-141(360-115)257-68-215-148-156(201)209-65-212-159(148)257)378-385(289,290)327-46-102-81(266)20-128(347-102)260-71-218-151-162(260)230-177(204)235-172(151)272)109(354-136)53-335-389(297,298)369-85-24-132(248-16-9-124(197)226-185(248)280)351-106(85)50-332-394(307,308)374-90-29-137(253-41-77(2)168(268)241-190(253)285)355-110(90)54-336-390(299,300)370-86-25-133(249-17-10-125(198)227-186(249)281)352-107(86)51-333-395(309,310)375-91-30-138(254-42-78(3)169(269)242-191(254)286)358-113(91)57-339-400(319,320)381-97-36-144(261-72-219-152-163(261)231-178(205)236-173(152)273)363-118(97)62-343-397(313,314)377-93-32-140(256-44-80(5)171(271)244-193(256)288)357-112(93)56-338-399(317,318)380-96-35-143(259-70-217-150-158(203)211-67-214-161(150)259)361-116(96)60-340-396(311,312)376-92-31-139(255-43-79(4)170(270)243-192(255)287)356-111(92)55-337-391(301,302)371-87-26-134(250-18-11-126(199)228-187(250)282)353-108(87)52-334-398(315,316)379-95-34-142(258-69-216-149-157(202)210-66-213-160(149)258)359-114(95)58-328-386(291,292)366-82-21-129(346-101(82)45-265)245-13-6-121(194)223-182(245)277/h6-19,40-44,65-75,81-120,128-147,265-266H,20-39,45-64H2,1-5H3,(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)(H2,194,223,277)(H2,195,224,278)(H2,196,225,279)(H2,197,226,280)(H2,198,227,281)(H2,199,228,282)(H2,200,229,283)(H2,201,209,212)(H2,202,210,213)(H2,203,211,214)(H,240,267,284)(H,241,268,285)(H,242,269,286)(H,243,270,287)(H,244,271,288)(H3,204,230,235,272)(H3,205,231,236,273)(H3,206,232,237,274)(H3,207,233,238,275)(H3,208,234,239,276)
- InChIKey
- CEPVULOJTXBQMN-UHFFFAOYSA-N
- Compound name
- [3-[[3-[[3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[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-[[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-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-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]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-(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]oxy-5-(5-methyl-2,4-dioxopyrimidin-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]oxy-5-(6-aminopurin-9-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]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methyl [5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6067.0420 | 311.5 |
[M+Na]+ | 6089.0239 | 311.5 |
[M-H]- | 6065.0274 | 311.5 |
[M+NH4]+ | 6084.0685 | 311.5 |
[M+K]+ | 6104.9979 | 311.5 |
[M+H-H2O]+ | 6049.0320 | 311.5 |
[M+HCOO]- | 6111.0329 | 311.5 |
[M+CH3COO]- | 6125.0486 | 311.5 |
[M+Na-2H]- | 6087.0094 | 311.5 |
[M]+ | 6066.0342 | 311.5 |
[M]- | 6066.0352 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.