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Substance Name: 5'-CGAGATAATGTTCACACAAC-3'
RN: 117871-20-2
InChIKey: GNASFYBSNZQSFV-UHFFFAOYSA-N

Molecular Formula

  • C195-H245-N78-O95-P19-S19

Molecular Weight

  • 6399.2915
 
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Names and Synonyms

Synonym

  • 5'-CGAGATAATGTTCACACAAC-3' Phosphorothioate (mismatched/scrambled)

Systematic Name

  • 5'-CGAGATAATGTTCACACAAC-3'

Registry Numbers

CAS Registry Number

  • 117871-20-2

System Generated Number

  • 0117871202

Structure Descriptors

InChI

1S/C195H245N78O95P19S19/c1-78-35-259(192(288)250-177(78)276)132-20-87(354-374(297,393)313-41-104-84(17-129(332-104)256-12-7-124(198)241-189(256)285)351-371(294,390)320-49-112-92(25-137(340-112)264-68-229-148-159(202)213-60-221-167(148)264)359-378(301,397)314-42-105-85(18-130(333-105)257-13-8-125(199)242-190(257)286)352-372(295,391)321-50-113-93(26-138(341-113)265-69-230-149-160(203)214-61-222-168(149)265)360-379(302,398)315-43-106-86(19-131(334-106)258-14-9-126(200)243-191(258)287)353-373(296,392)322-51-114-96(29-141(342-114)268-72-233-152-163(206)217-64-225-171(152)268)363-383(306,402)324-48-111-91(24-136(339-111)263-67-228-147-158(201)212-59-220-166(147)263)358-369(292,388)311-40-103-82(275)15-127(331-103)254-10-5-122(196)239-187(254)283)107(335-132)44-316-375(298,394)355-88-21-133(260-36-79(2)178(277)251-193(260)289)338-110(88)47-319-382(305,401)366-100-33-145(272-76-237-156-175(272)245-185(210)248-182(156)281)348-120(100)57-328-377(300,396)357-90-23-135(262-38-81(4)180(279)253-195(262)291)337-109(90)46-318-380(303,399)361-94-27-139(266-70-231-150-161(204)215-62-223-169(150)266)344-116(94)53-325-384(307,403)364-97-30-142(269-73-234-153-164(207)218-65-226-172(153)269)343-115(97)52-323-376(299,395)356-89-22-134(261-37-80(3)179(278)252-194(261)290)336-108(89)45-317-381(304,400)362-95-28-140(267-71-232-151-162(205)216-63-224-170(151)267)345-117(95)54-327-387(310,406)368-101-34-146(273-77-238-157-176(273)246-186(211)249-183(157)282)349-121(101)58-329-385(308,404)365-98-31-143(270-74-235-154-165(208)219-66-227-173(154)270)346-118(98)55-326-386(309,405)367-99-32-144(271-75-236-155-174(271)244-184(209)247-181(155)280)347-119(99)56-312-370(293,389)350-83-16-128(330-102(83)39-274)255-11-6-123(197)240-188(255)284/h5-14,35-38,59-77,82-121,127-146,274-275H,15-34,39-58H2,1-4H3,(H,292,388)(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)(H2,196,239,283)(H2,197,240,284)(H2,198,241,285)(H2,199,242,286)(H2,200,243,287)(H2,201,212,220)(H2,202,213,221)(H2,203,214,222)(H2,204,215,223)(H2,205,216,224)(H2,206,217,225)(H2,207,218,226)(H2,208,219,227)(H,250,276,288)(H,251,277,289)(H,252,278,290)(H,253,279,291)(H3,209,244,247,280)(H3,210,245,248,281)(H3,211,246,249,282)

InChIKey

GNASFYBSNZQSFV-UHFFFAOYSA-N

Smiles

Cc1cn(c(=O)[nH]c1=O)C2CC(C(O2)COP(=S)(O)OC3CC(OC3COP(=S)(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(OC1CO)n1ccc(nc1=O)N)n1cnc2c1nc([nH]c2=O)N)n1cnc2c1ncnc2N)n1cnc2c1nc([nH]c2=O)N)n1cnc2c1ncnc2N)n1cc(c(=O)[nH]c1=O)C)n1cnc2c1ncnc2N)n1cnc2c1ncnc2N)n1cc(c(=O)[nH]c1=O)C)n1cnc2c1nc([nH]c2=O)N)n1cc(c(=O)[nH]c1=O)C)OP(=S)(O)OCC1C(CC(O1)n1ccc(nc1=O)N)OP(=S)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)OP(=S)(O)OCC1C(CC(O1)n1ccc(nc1=O)N)OP(=S)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)OP(=S)(O)OCC1C(CC(O1)n1ccc(nc1=O)N)OP(=S)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)OP(=S)(O)OCC1C(CC(O1)n1cnc2c1ncnc2N)OP(=S)(O)OCC1C(CC(O1)n1ccc(nc1=O)N)O