Monopalmitoyl propylene diamine conjugated disonucleotide(p-ttgaaacccgagaacatcat)

Structural Information

Molecular Formula

C₂₁₄H₂₈₄N₈₀O₁₁₇P₂₀

SMILES

CCCCCCCCCCCCCCCC(=O)NCCCNP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)OP(=O)(O)OCC5C(CC(O5)N6C=NC7=C6N=C(NC7=O)N)OP(=O)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=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=CC(=NC1=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)O

InChI

InChI=1S/C214H284N80O117P20/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-145(296)231-26-19-27-259-412(313,314)353-58-121-106(39-152(379-121)281-54-97(3)197(298)272-212(281)310)398-419(327,328)360-64-127-108(41-154(380-127)283-56-99(5)199(300)274-214(283)312)400-421(331,332)371-75-138-118(51-164(391-138)293-94-257-175-194(293)266-204(229)269-201(175)302)410-430(349,350)367-71-134-115(48-161(387-134)290-91-254-172-183(226)238-83-246-191(172)290)407-427(343,344)366-70-133-113(46-159(386-133)288-89-252-170-181(224)236-81-244-189(170)288)405-425(339,340)364-68-131-110(43-156(384-131)285-86-249-167-178(221)233-78-241-186(167)285)402-422(333,334)358-62-125-102(35-148(377-125)276-29-22-141(216)261-207(276)305)394-415(319,320)355-59-122-101(34-147(374-122)275-28-21-140(215)260-206(275)304)393-414(317,318)356-60-123-103(36-149(375-123)277-30-23-142(217)262-208(277)306)397-418(325,326)370-74-137-117(50-163(390-137)292-93-256-174-193(292)265-203(228)268-200(174)301)409-429(347,348)369-73-136-116(49-162(389-136)291-92-255-173-184(227)239-84-247-192(173)291)408-428(345,346)372-76-139-119(52-165(392-139)294-95-258-176-195(294)267-205(230)270-202(176)303)411-431(351,352)368-72-135-114(47-160(388-135)289-90-253-171-182(225)237-82-245-190(171)289)406-426(341,342)365-69-132-111(44-157(385-132)286-87-250-168-179(222)234-79-242-187(168)286)403-423(335,336)359-63-126-105(38-151(378-126)279-32-25-144(219)264-210(279)308)396-417(323,324)363-67-130-112(45-158(383-130)287-88-251-169-180(223)235-80-243-188(169)287)404-424(337,338)361-65-128-107(40-153(381-128)282-55-98(4)198(299)273-213(282)311)399-420(329,330)357-61-124-104(37-150(376-124)278-31-24-143(218)263-209(278)307)395-416(321,322)362-66-129-109(42-155(382-129)284-85-248-166-177(220)232-77-240-185(166)284)401-413(315,316)354-57-120-100(295)33-146(373-120)280-53-96(2)196(297)271-211(280)309/h21-25,28-32,53-56,77-95,100-139,146-165,295H,6-20,26-27,33-52,57-76H2,1-5H3,(H,231,296)(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)(H2,215,260,304)(H2,216,261,305)(H2,217,262,306)(H2,218,263,307)(H2,219,264,308)(H2,220,232,240)(H2,221,233,241)(H2,222,234,242)(H2,223,235,243)(H2,224,236,244)(H2,225,237,245)(H2,226,238,246)(H2,227,239,247)(H2,259,313,314)(H,271,297,309)(H,272,298,310)(H,273,299,311)(H,274,300,312)(H3,228,265,268,301)(H3,229,266,269,302)(H3,230,267,270,303)

InChIKey

KNAFRNCBDNEJFT-UHFFFAOYSA-N

Compound name

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

Related CIDs

• CID 16130385