5'-dctatcgctcccatatctcacctgct-3', phosphorothioate oligodeoxynucleotide

Structural Information

Molecular Formula

C₂₃₉H₃₀₉N₇₉O₁₂₈P₂₄S₂₄

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=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(=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=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)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)S)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C239H309N79O128P24S24/c1-99-56-305(232(342)286-209(99)321)168-31-107(320)133(399-168)65-374-447(350,471)424-109-33-170(295-21-10-158(241)272-222(295)332)400-134(109)66-384-466(369,490)446-131-55-192(318-98-270-198-208(318)283-220(256)285-218(198)330)422-156(131)88-397-464(367,488)440-124-48-185(311-62-105(7)215(327)292-238(311)348)413-147(124)79-388-452(355,476)428-113-37-174(299-25-14-162(245)276-226(299)336)402-136(113)68-377-451(354,475)427-112-36-173(298-24-13-161(244)275-225(298)335)408-142(112)74-383-465(368,489)441-126-50-187(313-93-265-193-199(251)257-89-261-203(193)313)417-151(126)83-392-456(359,480)432-117-41-178(303-29-18-166(249)280-230(303)340)406-140(117)72-381-459(362,483)435-121-45-182(308-59-102(4)212(324)289-235(308)345)411-145(121)77-386-453(356,477)429-114-38-175(300-26-15-163(246)277-227(300)337)405-139(114)71-380-460(363,484)436-122-46-183(309-60-103(5)213(325)290-236(309)346)414-148(122)80-390-470(373,494)444-129-53-190(316-96-268-196-202(254)260-92-264-206(196)316)420-154(129)86-395-463(366,487)439-125-49-186(312-63-106(8)216(328)293-239(312)349)416-150(125)82-391-468(371,492)442-127-51-188(314-94-266-194-200(252)258-90-262-204(194)314)418-152(127)84-393-455(358,479)431-116-40-177(302-28-17-165(248)279-229(302)339)403-137(116)69-378-449(352,473)425-110-34-171(296-22-11-159(242)273-223(296)333)401-135(110)67-376-450(353,474)426-111-35-172(297-23-12-160(243)274-224(297)334)404-138(111)70-379-458(361,482)434-120-44-181(307-58-101(3)211(323)288-234(307)344)412-146(120)78-387-454(357,478)430-115-39-176(301-27-16-164(247)278-228(301)338)409-143(115)75-385-467(370,491)445-130-54-191(317-97-269-197-207(317)282-219(255)284-217(197)329)421-155(130)87-396-457(360,481)433-118-42-179(304-30-19-167(250)281-231(304)341)407-141(118)73-382-461(364,485)437-123-47-184(310-61-104(6)214(326)291-237(310)347)415-149(123)81-389-469(372,493)443-128-52-189(315-95-267-195-201(253)259-91-263-205(195)315)419-153(128)85-394-462(365,486)438-119-43-180(306-57-100(2)210(322)287-233(306)343)410-144(119)76-375-448(351,472)423-108-32-169(398-132(108)64-319)294-20-9-157(240)271-221(294)331/h9-30,56-63,89-98,107-156,168-192,319-320H,31-55,64-88H2,1-8H3,(H,350,471)(H,351,472)(H,352,473)(H,353,474)(H,354,475)(H,355,476)(H,356,477)(H,357,478)(H,358,479)(H,359,480)(H,360,481)(H,361,482)(H,362,483)(H,363,484)(H,364,485)(H,365,486)(H,366,487)(H,367,488)(H,368,489)(H,369,490)(H,370,491)(H,371,492)(H,372,493)(H,373,494)(H2,240,271,331)(H2,241,272,332)(H2,242,273,333)(H2,243,274,334)(H2,244,275,335)(H2,245,276,336)(H2,246,277,337)(H2,247,278,338)(H2,248,279,339)(H2,249,280,340)(H2,250,281,341)(H2,251,257,261)(H2,252,258,262)(H2,253,259,263)(H2,254,260,264)(H,286,321,342)(H,287,322,343)(H,288,323,344)(H,289,324,345)(H,290,325,346)(H,291,326,347)(H,292,327,348)(H,293,328,349)(H3,255,282,284,329)(H3,256,283,285,330)

InChIKey

CLHZOZCZXAHGSW-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16130436
• CID 16130444