CID 16204620
5'-tccggcccgcggcggaagca-3'
Structural Information
- Molecular Formula
- C192H243N81O99P20S20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)O)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=NC9=C8N=C(NC9=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=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=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=CC(=NC1=O)N)OP(=S)(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(=O)(OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)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)O)S
- InChI
- InChI=1S/C192H243N81O99P20S20/c1-73-38-262(192(292)253-167(73)275)131-27-83(95(343-131)40-314-373(293,294)393)362-382(303,402)319-45-100-77(21-125(339-100)256-12-4-116(195)231-186(256)286)356-376(297,396)318-44-99-80(24-128(338-99)259-15-7-119(198)234-189(259)289)359-379(300,399)327-52-107-90(34-138(347-107)270-69-225-149-163(270)241-180(208)249-172(149)280)370-390(311,410)331-56-111-88(32-136(351-111)268-67-223-147-161(268)239-178(206)247-170(147)278)367-385(306,405)321-46-101-78(22-126(340-101)257-13-5-117(196)232-187(257)287)357-377(298,397)316-42-97-76(20-124(336-97)255-11-3-115(194)230-185(255)285)355-375(296,395)317-43-98-79(23-127(337-98)258-14-6-118(197)233-188(258)288)358-378(299,398)326-51-106-86(30-134(346-106)266-65-221-145-159(266)237-176(204)245-168(145)276)365-384(305,404)322-47-102-81(25-129(341-102)260-16-8-120(199)235-190(260)290)360-380(301,400)328-53-108-91(35-139(348-108)271-70-226-150-164(271)242-181(209)250-173(150)281)371-391(312,411)332-57-112-89(33-137(352-112)269-68-224-148-162(269)240-179(207)248-171(148)279)368-386(307,406)323-48-103-82(26-130(342-103)261-17-9-121(200)236-191(261)291)361-381(302,401)329-54-109-92(36-140(349-109)272-71-227-151-165(272)243-182(210)251-174(151)282)372-392(313,412)333-58-113-93(37-141(353-113)273-72-228-152-166(273)244-183(211)252-175(152)283)369-389(310,409)325-50-105-84(28-132(345-105)264-63-219-143-154(202)213-60-216-157(143)264)363-387(308,407)324-49-104-85(29-133(344-104)265-64-220-144-155(203)214-61-217-158(144)265)364-388(309,408)330-55-110-87(31-135(350-110)267-66-222-146-160(267)238-177(205)246-169(146)277)366-383(304,403)320-41-96-75(19-123(335-96)254-10-2-114(193)229-184(254)284)354-374(295,394)315-39-94-74(274)18-122(334-94)263-62-218-142-153(201)212-59-215-156(142)263/h2-17,38,59-72,74-113,122-141,274H,18-37,39-58H2,1H3,(H,295,394)(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)(H2,193,229,284)(H2,194,230,285)(H2,195,231,286)(H2,196,232,287)(H2,197,233,288)(H2,198,234,289)(H2,199,235,290)(H2,200,236,291)(H2,201,212,215)(H2,202,213,216)(H2,203,214,217)(H,253,275,292)(H2,293,294,393)(H3,204,237,245,276)(H3,205,238,246,277)(H3,206,239,247,278)(H3,207,240,248,279)(H3,208,241,249,280)(H3,209,242,250,281)(H3,210,243,251,282)(H3,211,244,252,283)
- InChIKey
- INUAITVTHFLGFR-UHFFFAOYSA-N
- Compound name
- 1-[4-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[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-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]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-(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-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-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-(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]+ | 6526.5708 | 311.5 |
[M+Na]+ | 6548.5527 | 311.5 |
[M-H]- | 6524.5562 | 311.5 |
[M+NH4]+ | 6543.5973 | 311.5 |
[M+K]+ | 6564.5267 | 311.5 |
[M+H-H2O]+ | 6508.5608 | 311.5 |
[M+HCOO]- | 6570.5617 | 311.5 |
[M+CH3COO]- | 6584.5774 | 311.5 |
[M+Na-2H]- | 6546.5382 | 311.5 |
[M]+ | 6525.5630 | 311.5 |
[M]- | 6525.5640 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.