CID 16204630
5'-ttgcgggagcagctccgctg-3'
Structural Information
- Molecular Formula
- C194H246N76O103P20S20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)OP(=S)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=S)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S
- InChI
- InChI=1S/C194H246N76O103P20S20/c1-73-37-257(191(290)247-165(73)272)130-24-84(98(342-130)42-315-374(294,295)394)361-382(303,402)325-51-107-87(27-133(345-107)260-40-76(4)168(275)250-194(260)293)364-384(305,404)330-56-112-91(31-137(350-112)265-67-219-147-159(265)233-179(205)241-171(147)278)368-386(307,406)322-48-104-83(23-129(341-104)256-16-10-122(200)230-190(256)289)360-381(302,401)329-55-111-94(34-140(349-111)268-70-222-150-162(268)236-182(208)244-174(150)281)372-392(313,412)334-60-116-96(36-142(354-116)270-72-224-152-164(270)238-184(210)246-176(152)283)373-393(314,413)333-59-115-95(35-141(353-115)269-71-223-151-163(269)237-183(209)245-175(151)282)371-391(312,411)327-53-109-89(29-135(347-109)262-64-216-144-154(202)212-62-214-156(144)262)366-390(311,410)332-58-114-93(33-139(352-114)267-69-221-149-161(267)235-181(207)243-173(149)280)370-388(309,408)321-47-103-82(22-128(340-103)255-15-9-121(199)229-189(255)288)358-379(300,399)326-52-108-88(28-134(346-108)261-63-215-143-153(201)211-61-213-155(143)261)365-389(310,409)331-57-113-92(32-138(351-113)266-68-220-148-160(266)234-180(206)242-172(148)279)369-387(308,407)320-46-102-80(20-126(339-102)253-13-7-119(197)227-187(253)286)357-378(299,398)324-50-106-86(26-132(344-106)259-39-75(3)167(274)249-193(259)292)363-383(304,403)318-44-100-78(18-124(337-100)251-11-5-117(195)225-185(251)284)355-376(297,396)317-43-99-81(21-127(336-99)254-14-8-120(198)228-188(254)287)359-380(301,400)328-54-110-90(30-136(348-110)264-66-218-146-158(264)232-178(204)240-170(146)277)367-385(306,405)319-45-101-79(19-125(338-101)252-12-6-118(196)226-186(252)285)356-377(298,397)323-49-105-85(25-131(343-105)258-38-74(2)166(273)248-192(258)291)362-375(296,395)316-41-97-77(271)17-123(335-97)263-65-217-145-157(263)231-177(203)239-169(145)276/h5-16,37-40,61-72,77-116,123-142,271H,17-36,41-60H2,1-4H3,(H,296,395)(H,297,396)(H,298,397)(H,299,398)(H,300,399)(H,301,400)(H,302,401)(H,303,402)(H,304,403)(H,305,404)(H,306,405)(H,307,406)(H,308,407)(H,309,408)(H,310,409)(H,311,410)(H,312,411)(H,313,412)(H,314,413)(H2,195,225,284)(H2,196,226,285)(H2,197,227,286)(H2,198,228,287)(H2,199,229,288)(H2,200,230,289)(H2,201,211,213)(H2,202,212,214)(H,247,272,290)(H,248,273,291)(H,249,274,292)(H,250,275,293)(H2,294,295,394)(H3,203,231,239,276)(H3,204,232,240,277)(H3,205,233,241,278)(H3,206,234,242,279)(H3,207,235,243,280)(H3,208,236,244,281)(H3,209,237,245,282)(H3,210,238,246,283)
- InChIKey
- YUXKUGQRUILPOU-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-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-[[3-[[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-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6547.5586 | 311.5 |
[M+Na]+ | 6569.5405 | 311.5 |
[M-H]- | 6545.5440 | 311.5 |
[M+NH4]+ | 6564.5851 | 311.5 |
[M+K]+ | 6585.5145 | 311.5 |
[M+H-H2O]+ | 6529.5486 | 311.5 |
[M+HCOO]- | 6591.5495 | 311.5 |
[M+CH3COO]- | 6605.5652 | 311.5 |
[M+Na-2H]- | 6567.5260 | 311.5 |
[M]+ | 6546.5508 | 311.5 |
[M]- | 6546.5518 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.