CID 16197338
Gcgtactcaccagtcgccgc
Structural Information
- Molecular Formula
- C191H244N73O118P19
- 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(OC8CO)N9C=NC1=C9N=C(NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=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=CC(=NC1=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=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=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=CC(=NC1=O)N)O
- InChI
- InChI=1S/C191H244N73O118P19/c1-76-42-254(189(284)242-167(76)267)137-32-89(109(354-137)55-334-387(295,296)367-84-27-132(249-17-8-123(196)227-184(249)279)352-107(84)53-332-397(315,316)378-93-36-141(258-69-216-149-157(202)210-66-213-160(149)258)359-114(93)60-339-395(311,312)375-91-34-139(256-44-78(3)169(269)244-191(256)286)356-111(91)57-336-399(319,320)381-97-40-146(263-74-221-154-165(263)235-178(207)240-173(154)273)362-117(97)63-341-391(303,304)368-81-24-129(246-14-5-120(193)224-181(246)276)346-101(81)47-326-384(289,290)364-80-23-143(344-99(80)45-265)260-71-218-151-162(260)232-175(204)237-170(151)270)373-393(307,308)329-50-104-87(30-135(349-104)252-20-11-126(199)230-187(252)282)370-389(299,300)337-58-112-92(35-140(357-112)257-68-215-148-156(201)209-65-212-159(148)257)377-396(313,314)331-52-106-82(25-130(351-106)247-15-6-121(194)225-182(247)277)365-385(291,292)327-48-102-85(28-133(347-102)250-18-9-124(197)228-185(250)280)369-388(297,298)338-59-113-94(37-142(358-113)259-70-217-150-158(203)211-67-214-161(150)259)379-401(323,324)343-64-118-98(41-147(363-118)264-75-222-155-166(264)236-179(208)241-174(155)274)382-400(321,322)335-56-110-90(33-138(355-110)255-43-77(2)168(268)243-190(255)285)374-394(309,310)330-51-105-88(31-136(350-105)253-21-12-127(200)231-188(253)283)372-392(305,306)342-62-116-96(39-145(361-116)262-73-220-153-164(262)234-177(206)239-172(153)272)380-398(317,318)333-54-108-83(26-131(353-108)248-16-7-122(195)226-183(248)278)366-386(293,294)328-49-103-86(29-134(348-103)251-19-10-125(198)229-186(251)281)371-390(301,302)340-61-115-95(38-144(360-115)261-72-219-152-163(261)233-176(205)238-171(152)271)376-383(287,288)325-46-100-79(266)22-128(345-100)245-13-4-119(192)223-180(245)275/h4-21,42-44,65-75,79-118,128-147,265-266H,22-41,45-64H2,1-3H3,(H,287,288)(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)(H2,192,223,275)(H2,193,224,276)(H2,194,225,277)(H2,195,226,278)(H2,196,227,279)(H2,197,228,280)(H2,198,229,281)(H2,199,230,282)(H2,200,231,283)(H2,201,209,212)(H2,202,210,213)(H2,203,211,214)(H,242,267,284)(H,243,268,285)(H,244,269,286)(H3,204,232,237,270)(H3,205,233,238,271)(H3,206,234,239,272)(H3,207,235,240,273)(H3,208,236,241,274)
- InChIKey
- WRGLILDZSCDJHF-UHFFFAOYSA-N
- Compound name
- [5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[[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-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-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-(6-aminopurin-9-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-(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]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-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-(4-amino-2-oxopyrimidin-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] [5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6037.0423 | 311.5 |
[M+Na]+ | 6059.0242 | 311.5 |
[M-H]- | 6035.0277 | 311.5 |
[M+NH4]+ | 6054.0688 | 311.5 |
[M+K]+ | 6074.9982 | 311.5 |
[M+H-H2O]+ | 6019.0323 | 311.5 |
[M+HCOO]- | 6081.0332 | 311.5 |
[M+CH3COO]- | 6095.0489 | 311.5 |
[M+Na-2H]- | 6057.0097 | 311.5 |
[M]+ | 6036.0345 | 311.5 |
[M]- | 6036.0355 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.