Monopalmitoyl propylene diamine conjugated oligonucleotide(ptgcctggagctgcttgatgc)

Structural Information

Molecular Formula

C₂₁₄H₂₈₆N₇₄O₁₂₅P₂₀

SMILES

CCCCCCCCCCCCCCCC(=O)NCCCNP(=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/C214H286N74O125P20/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-22-143(290)229-28-21-29-243-414(315,316)355-62-119-103(40-149(380-119)274-55-92(2)184(291)263-209(274)309)399-420(327,328)368-75-132-112(49-158(389-132)283-86-237-167-178(283)250-198(223)257-191(167)298)408-426(339,340)358-64-121-99(36-145(377-121)270-31-24-139(216)245-205(270)305)395-416(319,320)357-63-120-100(37-146(376-120)271-32-25-140(217)246-206(271)306)396-417(321,322)362-68-125-106(43-152(382-125)277-58-95(5)187(294)266-212(277)312)402-424(335,336)372-78-135-116(53-162(392-135)287-90-241-171-182(287)254-202(227)261-195(171)302)413-433(353,354)374-80-137-117(54-163(394-137)288-91-242-172-183(288)255-203(228)262-196(172)303)412-432(351,352)367-73-130-110(47-156(387-130)281-84-235-165-174(221)231-82-233-176(165)281)407-430(347,348)373-79-136-114(51-160(393-136)285-88-239-169-180(285)252-200(225)259-193(169)300)410-428(343,344)360-66-123-102(39-148(379-123)273-34-27-142(219)248-208(273)308)398-419(325,326)363-69-126-105(42-151(383-126)276-57-94(4)186(293)265-211(276)311)401-423(333,334)370-76-133-113(50-159(390-133)284-87-238-168-179(284)251-199(224)258-192(168)299)409-427(341,342)359-65-122-101(38-147(378-122)272-33-26-141(218)247-207(272)307)397-418(323,324)361-67-124-104(41-150(381-124)275-56-93(3)185(292)264-210(275)310)400-421(329,330)364-70-127-107(44-153(384-127)278-59-96(6)188(295)267-213(278)313)403-425(337,338)371-77-134-115(52-161(391-134)286-89-240-170-181(286)253-201(226)260-194(170)301)411-431(349,350)366-72-129-109(46-155(386-129)280-83-234-164-173(220)230-81-232-175(164)280)406-429(345,346)365-71-128-108(45-154(385-128)279-60-97(7)189(296)268-214(279)314)404-422(331,332)369-74-131-111(48-157(388-131)282-85-236-166-177(282)249-197(222)256-190(166)297)405-415(317,318)356-61-118-98(289)35-144(375-118)269-30-23-138(215)244-204(269)304/h23-27,30-34,55-60,81-91,98-137,144-163,289H,8-22,28-29,35-54,61-80H2,1-7H3,(H,229,290)(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)(H,353,354)(H2,215,244,304)(H2,216,245,305)(H2,217,246,306)(H2,218,247,307)(H2,219,248,308)(H2,220,230,232)(H2,221,231,233)(H2,243,315,316)(H,263,291,309)(H,264,292,310)(H,265,293,311)(H,266,294,312)(H,267,295,313)(H,268,296,314)(H3,222,249,256,297)(H3,223,250,257,298)(H3,224,251,258,299)(H3,225,252,259,300)(H3,226,253,260,301)(H3,227,254,261,302)(H3,228,255,262,303)

InChIKey

WLPURTWNPCCYHD-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-[3-(hexadecanoylamino)propyl]phosphonamidic acid

Related CIDs

• CID 16130143