CID 16204563
5'-tcttcaacgacgtggggctt-3' ul36anti-c
Structural Information
- Molecular Formula
- C195H247N72O102P19S19
- SMILES
- CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=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(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)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)N1C=NC2=C1N=C(NC2=O)N)S)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)O
- InChI
- InChI=1S/C195H247N72O102P19S19/c1-75-37-253(190(287)242-167(75)270)126-17-81(269)102(332-126)44-312-370(293,389)357-88-24-133(255-39-77(3)169(272)244-192(255)289)338-108(88)50-318-372(295,391)353-84-20-128(249-13-8-122(197)226-186(249)283)337-107(84)49-317-382(305,401)364-95-31-140(262-69-219-149-161(262)230-179(204)236-173(149)276)348-118(95)60-328-387(310,406)368-99-35-144(266-73-223-153-165(266)234-183(208)240-177(153)280)350-120(99)62-330-388(311,407)369-100-36-145(267-74-224-154-166(267)235-184(209)241-178(154)281)349-119(100)61-329-386(309,405)367-98-34-143(265-72-222-152-164(265)233-182(207)239-176(152)279)347-117(98)59-327-379(302,398)360-91-27-136(258-42-80(6)172(275)247-195(258)292)341-111(91)53-321-383(306,402)365-96-32-141(263-70-220-150-162(263)231-180(205)237-174(150)277)345-115(96)57-325-375(298,394)355-86-22-130(251-15-10-124(199)228-188(251)285)336-106(86)48-316-381(304,400)362-93-29-138(260-67-217-147-156(202)211-64-214-159(147)260)344-114(93)56-324-385(308,404)366-97-33-142(264-71-221-151-163(264)232-181(206)238-175(151)278)346-116(97)58-326-376(299,395)356-87-23-131(252-16-11-125(200)229-189(252)286)335-105(87)47-315-380(303,399)361-92-28-137(259-66-216-146-155(201)210-63-213-158(146)259)343-113(92)55-323-384(307,403)363-94-30-139(261-68-218-148-157(203)212-65-215-160(148)261)342-112(94)54-322-374(297,393)354-85-21-129(250-14-9-123(198)227-187(250)284)334-104(85)46-314-377(300,396)358-89-25-134(256-40-78(4)170(273)245-193(256)290)340-110(89)52-320-378(301,397)359-90-26-135(257-41-79(5)171(274)246-194(257)291)339-109(90)51-319-373(296,392)352-83-19-127(248-12-7-121(196)225-185(248)282)333-103(83)45-313-371(294,390)351-82-18-132(331-101(82)43-268)254-38-76(2)168(271)243-191(254)288/h7-16,37-42,63-74,81-120,126-145,268-269H,17-36,43-62H2,1-6H3,(H,293,389)(H,294,390)(H,295,391)(H,296,392)(H,297,393)(H,298,394)(H,299,395)(H,300,396)(H,301,397)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,406)(H,311,407)(H2,196,225,282)(H2,197,226,283)(H2,198,227,284)(H2,199,228,285)(H2,200,229,286)(H2,201,210,213)(H2,202,211,214)(H2,203,212,215)(H,242,270,287)(H,243,271,288)(H,244,272,289)(H,245,273,290)(H,246,274,291)(H,247,275,292)(H3,204,230,236,276)(H3,205,231,237,277)(H3,206,232,238,278)(H3,207,233,239,279)(H3,208,234,240,280)(H3,209,235,241,281)
- InChIKey
- NBIWVFSMFHTJNJ-UHFFFAOYSA-N
- Compound name
- 1-[5-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[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-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[2-[[[2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[hydroxy-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-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-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]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]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]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-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 6425.6137 | 311.5 |
[M+Na]+ | 6447.5956 | 311.5 |
[M-H]- | 6423.5991 | 311.5 |
[M+NH4]+ | 6442.6402 | 311.5 |
[M+K]+ | 6463.5696 | 311.5 |
[M+H-H2O]+ | 6407.6037 | 311.5 |
[M+HCOO]- | 6469.6046 | 311.5 |
[M+CH3COO]- | 6483.6203 | 311.5 |
[M+Na-2H]- | 6445.5811 | 311.5 |
[M]+ | 6424.6059 | 311.5 |
[M]- | 6424.6069 | 311.5 |
Literature stripe
Patent stripe
No patent data available for this compound.