5'-d[catcgccgatgcggggcg]-3' phosphorothioate oligonucleotide

Structural Information

Molecular Formula

C₁₇₄H₂₁₉N₇₂O₈₉P₁₇S₁₇

SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(O)OC4CC(OC4CO)N5C=CC(=NC5=O)N)N6C=NC7=C(N=CN=C76)N)OP(=S)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=S)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)O)S

InChI

InChI=1S/C174H219N72O89P17S17/c1-65-33-235(173(265)227-149(65)249)116-22-74(92(308-116)42-291-347(278,364)327-76-24-118(237-55-195-127-137(181)191-53-193-139(127)237)310-94(76)44-285-337(268,354)319-68-16-110(301-85(68)35-247)229-9-3-103(175)205-167(229)259)325-342(273,359)287-39-89-72(20-114(305-89)233-13-7-107(179)209-171(233)263)323-340(271,357)294-46-96-78(26-120(312-96)240-58-198-130-142(240)212-160(184)220-152(130)252)329-345(276,362)289-40-90-70(18-112(306-90)231-11-5-105(177)207-169(231)261)321-338(269,355)286-38-88-71(19-113(304-88)232-12-6-106(178)208-170(232)262)322-339(270,356)295-47-97-81(29-123(313-97)243-61-201-133-145(243)215-163(187)223-155(133)255)332-349(280,366)293-45-95-77(25-119(311-95)238-56-196-128-138(182)192-54-194-140(128)238)328-348(279,365)292-43-93-75(23-117(309-93)236-34-66(2)150(250)228-174(236)266)326-343(274,360)297-49-99-79(27-121(315-99)241-59-199-131-143(241)213-161(185)221-153(131)253)330-346(277,363)290-41-91-73(21-115(307-91)234-14-8-108(180)210-172(234)264)324-341(272,358)296-48-98-82(30-124(314-98)244-62-202-134-146(244)216-164(188)224-156(134)256)333-350(281,367)299-51-101-84(32-126(317-101)246-64-204-136-148(246)218-166(190)226-158(136)258)335-352(283,369)300-52-102-83(31-125(318-102)245-63-203-135-147(245)217-165(189)225-157(135)257)334-351(282,368)298-50-100-80(28-122(316-100)242-60-200-132-144(242)214-162(186)222-154(132)254)331-344(275,361)288-37-87-69(17-111(303-87)230-10-4-104(176)206-168(230)260)320-336(267,353)284-36-86-67(248)15-109(302-86)239-57-197-129-141(239)211-159(183)219-151(129)251/h3-14,33-34,53-64,67-102,109-126,247-248H,15-32,35-52H2,1-2H3,(H,267,353)(H,268,354)(H,269,355)(H,270,356)(H,271,357)(H,272,358)(H,273,359)(H,274,360)(H,275,361)(H,276,362)(H,277,363)(H,278,364)(H,279,365)(H,280,366)(H,281,367)(H,282,368)(H,283,369)(H2,175,205,259)(H2,176,206,260)(H2,177,207,261)(H2,178,208,262)(H2,179,209,263)(H2,180,210,264)(H2,181,191,193)(H2,182,192,194)(H,227,249,265)(H,228,250,266)(H3,183,211,219,251)(H3,184,212,220,252)(H3,185,213,221,253)(H3,186,214,222,254)(H3,187,215,223,255)(H3,188,216,224,256)(H3,189,217,225,257)(H3,190,218,226,258)

InChIKey

LNIUQYDCSGYLSL-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16133549