(3-5)-hexadecylaminoacetate conjugated oligonucleotide(ptgcctggagctgcttgatgc)

Structural Information

Molecular Formula

C₂₁₃H₂₈₃N₇₃O₁₂₆P₂₀

SMILES

CCCCCCCCCCCCCCCCOC(=O)CNP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=O)(O)OCC6C(CC(O6)N7C=CC(=NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=CC(=NC9=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O

InChI

InChI=1S/C213H283N73O126P20/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-353-162(288)53-241-413(313,314)354-61-118-102(38-147(379-118)272-54-91(2)183(289)261-208(272)307)398-419(325,326)367-74-131-111(47-156(388-131)281-85-235-166-177(281)248-197(222)255-190(166)296)407-425(337,338)357-63-120-98(34-143(376-120)268-28-23-138(215)243-204(268)303)394-415(317,318)356-62-119-99(35-144(375-119)269-29-24-139(216)244-205(269)304)395-416(319,320)361-67-124-105(41-150(381-124)275-57-94(5)186(292)264-211(275)310)401-423(333,334)371-77-134-115(51-160(391-134)285-89-239-170-181(285)252-201(226)259-194(170)300)412-432(351,352)373-79-136-116(52-161(393-136)286-90-240-171-182(286)253-202(227)260-195(171)301)411-431(349,350)366-72-129-109(45-154(386-129)279-83-233-164-173(220)229-81-231-175(164)279)406-429(345,346)372-78-135-113(49-158(392-135)283-87-237-168-179(283)250-199(224)257-192(168)298)409-427(341,342)359-65-122-101(37-146(378-122)271-31-26-141(218)246-207(271)306)397-418(323,324)362-68-125-104(40-149(382-125)274-56-93(4)185(291)263-210(274)309)400-422(331,332)369-75-132-112(48-157(389-132)282-86-236-167-178(282)249-198(223)256-191(167)297)408-426(339,340)358-64-121-100(36-145(377-121)270-30-25-140(217)245-206(270)305)396-417(321,322)360-66-123-103(39-148(380-123)273-55-92(3)184(290)262-209(273)308)399-420(327,328)363-69-126-106(42-151(383-126)276-58-95(6)187(293)265-212(276)311)402-424(335,336)370-76-133-114(50-159(390-133)284-88-238-169-180(284)251-200(225)258-193(169)299)410-430(347,348)365-71-128-108(44-153(385-128)278-82-232-163-172(219)228-80-230-174(163)278)405-428(343,344)364-70-127-107(43-152(384-127)277-59-96(7)188(294)266-213(277)312)403-421(329,330)368-73-130-110(46-155(387-130)280-84-234-165-176(280)247-196(221)254-189(165)295)404-414(315,316)355-60-117-97(287)33-142(374-117)267-27-22-137(214)242-203(267)302/h22-31,54-59,80-90,97-136,142-161,287H,8-21,32-53,60-79H2,1-7H3,(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H2,214,242,302)(H2,215,243,303)(H2,216,244,304)(H2,217,245,305)(H2,218,246,306)(H2,219,228,230)(H2,220,229,231)(H2,241,313,314)(H,261,289,307)(H,262,290,308)(H,263,291,309)(H,264,292,310)(H,265,293,311)(H,266,294,312)(H3,221,247,254,295)(H3,222,248,255,296)(H3,223,249,256,297)(H3,224,250,257,298)(H3,225,251,258,299)(H3,226,252,259,300)(H3,227,253,260,301)

InChIKey

MLCNVQIQCWPWIW-UHFFFAOYSA-N

Compound name

[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[3-[[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-[[3-[[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[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-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-N-(2-hexadecoxy-2-oxoethyl)phosphonamidic acid

Related CIDs

• CID 16130142