CID 16204621
5'-gaagcacctgccctgtggta-3'
Structural Information
- Molecular Formula
- C194H246N76O101P20S20
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=O)(OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)O)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)O
- InChI
- InChI=1S/C194H246N76O101P20S20/c1-75-37-257(191(288)247-169(75)272)132-24-86(359-373(294,393)314-41-99-79(271)17-125(333-99)261-65-219-145-155(201)211-61-215-159(145)261)107(340-132)49-323-387(308,407)370-97-35-143(269-73-227-153-167(269)239-183(209)245-177(153)280)352-118(97)60-332-391(312,411)371-98-36-144(270-74-228-154-168(270)240-184(210)246-178(154)281)350-116(98)58-330-382(303,402)362-89-27-135(260-40-78(4)172(275)250-194(260)291)343-110(89)52-324-388(309,408)369-96-34-142(268-72-226-152-166(268)238-182(208)244-176(152)279)349-115(96)57-329-381(302,401)361-88-26-134(259-39-77(3)171(274)249-193(259)290)342-109(88)51-322-377(298,397)356-83-21-129(254-14-8-122(198)232-188(254)285)335-102(83)44-316-374(295,394)353-80-18-126(251-11-5-119(195)229-185(251)282)334-101(80)43-315-375(296,395)355-82-20-128(253-13-7-121(197)231-187(253)284)338-105(82)47-319-385(306,405)367-94-32-140(266-70-224-150-164(266)236-180(206)242-174(150)277)348-114(94)56-328-380(301,400)360-87-25-133(258-38-76(2)170(273)248-192(258)289)341-108(87)50-321-378(299,398)357-84-22-130(255-15-9-123(199)233-189(255)286)336-103(84)45-317-376(297,396)354-81-19-127(252-12-6-120(196)230-186(252)283)337-104(81)46-318-384(305,404)364-91-28-136(262-66-220-146-156(202)212-62-216-160(146)262)345-111(91)53-325-379(300,399)358-85-23-131(256-16-10-124(200)234-190(256)287)339-106(85)48-320-386(307,406)368-95-33-141(267-71-225-151-165(267)237-181(207)243-175(151)278)351-117(95)59-331-390(311,410)366-93-30-138(264-68-222-148-158(204)214-64-218-162(148)264)347-113(93)55-327-389(310,409)365-92-29-137(263-67-221-147-157(203)213-63-217-161(147)263)346-112(92)54-326-383(304,403)363-90-31-139(344-100(90)42-313-372(292,293)392)265-69-223-149-163(265)235-179(205)241-173(149)276/h5-16,37-40,61-74,79-118,125-144,271H,17-36,41-60H2,1-4H3,(H,294,393)(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)(H2,195,229,282)(H2,196,230,283)(H2,197,231,284)(H2,198,232,285)(H2,199,233,286)(H2,200,234,287)(H2,201,211,215)(H2,202,212,216)(H2,203,213,217)(H2,204,214,218)(H,247,272,288)(H,248,273,289)(H,249,274,290)(H,250,275,291)(H2,292,293,392)(H3,205,235,241,276)(H3,206,236,242,277)(H3,207,237,243,278)(H3,208,238,244,279)(H3,209,239,245,280)(H3,210,240,246,281)
- InChIKey
- SSVIXPYJNBXXEF-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[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-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6515.5688 | 311.5 |
[M+Na]+ | 6537.5507 | 311.5 |
[M-H]- | 6513.5542 | 311.5 |
[M+NH4]+ | 6532.5953 | 311.5 |
[M+K]+ | 6553.5247 | 311.5 |
[M+H-H2O]+ | 6497.5588 | 311.5 |
[M+HCOO]- | 6559.5597 | 311.5 |
[M+CH3COO]- | 6573.5754 | 311.5 |
[M+Na-2H]- | 6535.5362 | 311.5 |
[M]+ | 6514.5610 | 311.5 |
[M]- | 6514.5620 | 311.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.