12 tar 10xome/6xtricyclo-dna fam

Structural Information

Molecular Formula

C₂₀₀H₂₃₄N₅₇O₁₁₀P₁₅

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)OP(=O)(O)O[C@@H]5[C@H](O[C@H](C5OC)N6C=NC7=C(N=CN=C76)N)COP(=O)(O)O[C@@H]8[C@H](O[C@H](C8OC)N9C=NC1=C9N=C(NC1=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=NC2=C(N=CN=C21)N)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=NC1=O)N)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)OP(=O)(O)O[C@@H]1[C@H](O[C@H](C1OC)N1C=CC(=O)NC1=O)COP(=O)(O)O[C@]12C[C@@H]3C[C@@]3([C@H]1O[C@H](C2)N1C=CC(=NC1=O)N)O)OP(=O)(O)OC[C@@H]1[C@H](C([C@@H](O1)N1C=CC(=NC1=O)N)OC)OC(=O)C1=CC2=C(C=C1)C(=O)OC21C2=C(C=C(C=C2)O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C200H234N57O110P15/c1-77-57-251(187(277)241-153(77)262)117-56-193(362-373(289,290)323-58-93-124(134(309-2)157(330-93)247-32-23-108(206)231-183(247)273)346-167(266)78-12-15-87-90(36-78)200(347-168(87)267)88-16-13-85(258)37-91(88)329-92-38-86(259)14-17-89(92)200)44-84-50-199(84,174(193)345-117)367-381(305,306)355-132-96(334-163(142(132)317-10)254-73-222-120-146(210)216-70-219-149(120)254)61-321-370(283,284)348-125-94(337-164(140(125)315-8)255-74-223-121-150(255)235-175(211)238-154(121)263)59-319-368(279,280)350-127-99(336-161(138(127)313-6)252-71-220-118-144(208)214-68-217-147(118)252)64-326-375(293,294)359-190-41-81-47-196(81,171(190)342-114(53-190)244-29-20-105(203)228-180(244)270)365-380(303,304)354-131-102(333-160(137(131)312-5)250-35-26-111(261)234-186(250)276)67-328-377(297,298)361-192-43-83-49-198(83,173(192)344-116(55-192)246-31-22-107(205)230-182(246)272)366-382(307,308)356-133-97(339-166(143(133)318-11)257-76-225-123-152(257)237-177(213)240-156(123)265)62-322-371(285,286)349-126-95(338-165(141(126)316-9)256-75-224-122-151(256)236-176(212)239-155(122)264)60-320-369(281,282)351-128-98(335-162(139(128)314-7)253-72-221-119-145(209)215-69-218-148(119)253)63-325-374(291,292)358-189-40-80-46-195(80,170(189)341-113(52-189)243-28-19-104(202)227-179(243)269)363-378(299,300)352-129-100(331-158(135(129)310-3)248-33-24-109(207)232-184(248)274)66-327-376(295,296)360-191-42-82-48-197(82,172(191)343-115(54-191)245-30-21-106(204)229-181(245)271)364-379(301,302)353-130-101(332-159(136(130)311-4)249-34-25-110(260)233-185(249)275)65-324-372(287,288)357-188-39-79-45-194(79,278)169(188)340-112(51-188)242-27-18-103(201)226-178(242)268/h12-38,57,68-76,79-84,93-102,112-117,124-143,157-166,169-174,258-259,278H,39-56,58-67H2,1-11H3,(H,279,280)(H,281,282)(H,283,284)(H,285,286)(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)(H2,201,226,268)(H2,202,227,269)(H2,203,228,270)(H2,204,229,271)(H2,205,230,272)(H2,206,231,273)(H2,207,232,274)(H2,208,214,217)(H2,209,215,218)(H2,210,216,219)(H,233,260,275)(H,234,261,276)(H,241,262,277)(H3,211,235,238,263)(H3,212,236,239,264)(H3,213,237,240,265)/t79-,80-,81-,82-,83-,84-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,112-,113-,114-,115-,116-,117-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134?,135?,136?,137?,138?,139?,140?,141?,142?,143?,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,169+,170+,171+,172+,173+,174+,188+,189+,190+,191+,192+,193+,194-,195-,196-,197-,198-,199-/m1/s1

InChIKey

ONGBEOBPTFUMGI-PTJYZBKCSA-N

Compound name

[(2R,3R,5R)-2-[[[(1S,2R,4S,6S,8R)-2-[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(1S,2R,4S,6S,8R)-2-[[(2R,3R,5R)-2-[[[(1S,2R,4S,6S,8R)-2-[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3R,5R)-2-[[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(1S,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-[[(2R,3R,5R)-2-[[[(1R,2R,4S,6S,8R)-8-(4-amino-2-oxopyrimidin-1-yl)-2-hydroxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-8-(4-amino-2-oxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(6-aminopurin-9-yl)-4-methoxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxy-8-(5-methyl-2,4-dioxopyrimidin-1-yl)-9-oxatricyclo[4.3.0.02,4]nonan-6-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] 3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylate

Related CIDs

• CID 49768302