5'-d(gcg)tttd(gc)tdcttdcttdcttd(gcg)-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₂₀₄H₂₆₃N₆₃O₁₁₄P₂₀S₂₀

SMILES

CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@@H](O2)COP(=S)(O)O[C@H]3C[C@H](O[C@@H]3COP(=S)(O)O[C@H]4C[C@H](O[C@@H]4COP(=S)(O)O[C@H]5C[C@H](O[C@@H]5COP(=S)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=S)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@H]9COP(=S)(O)O[C@H]1C[C@@H](O[C@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@@H](C[C@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@H](O1)N1C=NC2=C1N=C(NC2=O)N)O

InChI

InChI=1S/C204H263N63O114P20S20/c1-80-44-253(195(291)237-169(80)270)145-31-98(119(349-145)62-328-387(306,407)367-97-30-144(252-22-16-137(210)226-194(252)290)348-118(97)61-327-400(319,420)380-109-42-157(266-78-219-162-167(266)230-187(214)235-182(162)283)361-131(109)74-340-398(317,418)378-107-40-154(262-53-89(10)178(279)246-204(262)300)357-127(107)70-336-395(314,415)375-104-37-151(259-50-86(7)175(276)243-201(259)297)355-125(104)68-334-396(315,416)376-105-38-152(260-51-87(8)176(277)244-202(260)298)358-128(105)71-337-401(320,421)381-110-43-158(267-79-220-163-168(267)231-188(215)236-183(163)284)359-129(110)72-338-388(307,408)368-93-26-140(248-18-12-133(206)222-190(248)286)343-113(93)56-322-383(302,403)362-91-24-155(341-111(91)54-268)264-76-217-160-165(264)228-185(212)233-180(160)281)369-389(308,409)323-58-115-94(27-141(345-115)249-19-13-134(207)223-191(249)287)364-384(303,404)329-63-120-101(34-148(350-120)256-47-83(4)172(273)240-198(256)294)372-392(311,412)332-66-123-99(32-146(353-123)254-45-81(2)170(271)238-196(254)292)370-390(309,410)324-59-116-95(28-142(346-116)250-20-14-135(208)224-192(250)288)365-385(304,405)330-64-121-102(35-149(351-121)257-48-84(5)173(274)241-199(257)295)373-393(312,413)333-67-124-100(33-147(354-124)255-46-82(3)171(272)239-197(255)293)371-391(310,411)325-60-117-96(29-143(347-117)251-21-15-136(209)225-193(251)289)366-386(305,406)331-65-122-103(36-150(352-122)258-49-85(6)174(275)242-200(258)296)374-394(313,414)335-69-126-106(39-153(356-126)261-52-88(9)177(278)245-203(261)299)377-397(316,417)339-73-130-108(41-156(360-130)265-77-218-161-166(265)229-186(213)234-181(161)282)379-399(318,419)326-57-114-92(25-139(344-114)247-17-11-132(205)221-189(247)285)363-382(301,402)321-55-112-90(269)23-138(342-112)263-75-216-159-164(263)227-184(211)232-179(159)280/h11-22,44-53,75-79,90-131,138-158,268-269H,23-43,54-74H2,1-10H3,(H,301,402)(H,302,403)(H,303,404)(H,304,405)(H,305,406)(H,306,407)(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(H,313,414)(H,314,415)(H,315,416)(H,316,417)(H,317,418)(H,318,419)(H,319,420)(H,320,421)(H2,205,221,285)(H2,206,222,286)(H2,207,223,287)(H2,208,224,288)(H2,209,225,289)(H2,210,226,290)(H,237,270,291)(H,238,271,292)(H,239,272,293)(H,240,273,294)(H,241,274,295)(H,242,275,296)(H,243,276,297)(H,244,277,298)(H,245,278,299)(H,246,279,300)(H3,211,227,232,280)(H3,212,228,233,281)(H3,213,229,234,282)(H3,214,230,235,283)(H3,215,231,236,284)/t90-,91-,92+,93-,94-,95-,96-,97-,98-,99+,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112+,113-,114+,115+,116+,117+,118+,119-,120-,121+,122+,123+,124+,125+,126-,127+,128+,129-,130-,131+,138-,139+,140+,141-,142-,143-,144-,145-,146-,147+,148+,149+,150+,151+,152+,153+,154-,155+,156+,157-,158+,382?,383?,384?,385?,386?,387?,388?,389?,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?,400?,401?/m0/s1

InChIKey

YXPFHXCUIFJZDH-SZDKHGRMSA-N

Compound name

1-[(2S,4S,5S)-5-[[[(2R,3S,5S)-2-[[[(2R,3S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5S)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2S,3S,5R)-2-[[[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)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]-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-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-[[(2R,3S,5S)-3-[[(2S,3S,5R)-3-[[(2R,3R,5S)-3-[[(2R,3S,5S)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5S)-3-[[(2R,3S,5R)-3-[[(2S,3S,5R)-3-[[(2S,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3R,5R)-3-[[(2R,3S,5S)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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-(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]oxy-5-(5-methyl-2,4-dioxopyrimidin-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]oxy-5-(5-methyl-2,4-dioxopyrimidin-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]-5-methylpyrimidine-2,4-dione

Related CIDs

• CID 16133606
• CID 71587550
• CID 129651696