DNA (ten base pairs)

the goodman group
university of cambridge

Notes More information on DNA structure is available.

Literature

A Structure for Deoxyribose Nucleic Acid
J. D. Watson and F. H. C. Crick
Nature 1953, 171, 737-738.

SMILES

O=[P@](O[C@@]([H])([H])[C@@]1([H])O[C@@](N2[C@]([H])=N[C@@]3=[C@]2N=[C@]([H])N=[C@@]3N([H])[H])([H])[C@]([H])([H])[C@@]1([H])O[P@@](O)(O[C@@]([H])([H])[C@@]4([H])O[C@@](N5[C@]([H])=N[C@@]6=[C@@]5N=[C@](N([H])[H])N([H])[C@]6=O)([H])[C@]([H])([H])[C@@]4([H])O[P@@](O)(O[C@@]([H])([H])[C@]7([H])O[C@@](N8[C@@]([H])=N[C@]9=[C@@]8N=[C@@]([H])N=[C@]9N([H])[H])([H])[C@]([H])([H])[C@]7([H])O[P@@](O)(O[C@]([H])([H])[C@]%10([H])O[C@@](N%11[C@@]([H])=N[C@]%12=[C@@]%11N=[C@@]([H])N=[C@]%12N([H])[H])([H])[C@@]([H])([H])[C@]%10([H])O[P@](O)(O[C@]([H])([H])[C@]%13([H])O[C@@](N%14[C@](N=[C@@]([C@]([H])=[C@@]%14[H])N([H])[H])=O)([H])[C@@]([H])([H])[C@]%13([H])O[P@](O)(O[C@]([H])([H])[C@]%15([H])O[C@](N%16[C@@](N=[C@]([C@]([H])=[C@]%16[H])N([H])[H])=O)([H])[C@@]([H])([H])[C@]%15([H])O[P@](O)(O[C@]([H])([H])[C@]%17([H])O[C@](N%18[C@@](N=[C@]([C@]([H])=[C@]%18[H])N([H])[H])=O)([H])[C@@]([H])([H])[C@@]%17([H])O[P@](O)(O[C@@]([H])([H])[C@]%19([H])O[C@](N%20[C@@](N([H])[C@]([C@@]([C@@]([H])([H])[H])=[C@]%20[H])=O)=O)([H])[C@@]([H])([H])[C@@]%19([H])O[P@](O)(O[C@@]([H])([H])[C@]%21([H])O[C@](N%22[C@]([H])=N[C@@]%23=[C@]%22N=[C@](N([H])[H])N([H])[C@@]%23=O)([H])[C@]([H])([H])[C@@]%21([H])O[P@](O)(O[C@@]([H])([H])[C@@]%24([H])O[C@@](N%25[C@](N([H])[C@]([C@@]([C@]([H])([H])[H])=[C@]%25[H])=O)=O)([H])[C@]([H])([H])[C@@]%24([H])O[H])=O)=O)=O)=O)=O)=O)=O)=O)=O)(O)O.O=[P@](O[C@]([H])([H])[C@]%26([H])O[C@@](N%27[C@](N([H])[C@@]([C@@]([C@]([H])([H])[H])=[C@@]%27[H])=O)=O)([H])[C@@]([H])([H])[C@]%26([H])O[H])(O[C@]%28([H])[C@](O[C@@](N%29[C@](N=[C@@]([C@]([H])=[C@@]%29[H])N([H])[H])=O)([H])[C@@]%28([H])[H])([H])[C@]([H])([H])O[P@](O)(O[C@@]%30([H])[C@](O[C@@](N%31[C@](N([H])[C@@]([C@]([C@]([H])([H])[H])=[C@@]%31[H])=O)=O)([H])[C@@]%30([H])[H])([H])[C@]([H])([H])O[P@](O)(O[C@@]%32([H])[C@@](O[C@@](N%33[C@](N([H])[C@]([C@]([C@]([H])([H])[H])=[C@]%33[H])=O)=O)([H])[C@@]%32([H])[H])([H])[C@]([H])([H])O[P@](O)(O[C@@]%34([H])[C@@](O[C@@](N%35[C@]([H])=N[C@@]%36=[C@]%35N=[C@](N([H])[H])N([H])[C@@]%36=O)([H])[C@@]%34([H])[H])([H])[C@]([H])([H])O[P@@](O)(O[C@@]%37([H])[C@@](O[C@@](N%38[C@]([H])=N[C@@]%39=[C@]%38N=[C@](N([H])[H])N([H])[C@@]%39=O)([H])[C@@]%37([H])[H])([H])[C@]([H])([H])O[P@@](O)(O[C@@]%40([H])[C@@](O[C@](N%41[C@]([H])=N[C@@]%42=[C@]%41N=[C@](N([H])[H])N([H])[C@@]%42=O)([H])[C@@]%40([H])[H])([H])[C@]([H])([H])O[P@@](O)(O[C@@]%43([H])[C@](O[C@](N%44[C@]([H])=N[C@@]%45=[C@]%44N=[C@@]([H])N=[C@@]%45N([H])[H])([H])[C@@]%43([H])[H])([H])[C@]([H])([H])O[P@@](O)(O[C@@]%46([H])[C@@](O[C@](N%47[C@@](N=[C@]([C@]([H])=[C@]%47[H])N([H])[H])=O)([H])[C@]%46([H])[H])([H])[C@@]([H])([H])O[P@@](O)(O[C@@]%48([H])[C@@](O[C@](N%49[C@]([H])=N[C@]%50=[C@]%49N=[C@@]([H])N=[C@@]%50N([H])[H])([H])[C@]%48([H])[H])([H])[C@@]([H])([H])O[P@@](O)(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)O

Canonical SMILES

InChI
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MInChI v0.9
MInChIxe1 C98H125N37O62P10 C97H124N38O60P10 c1xh38xh18xh 128xl96xl145 xr123xh85xl3 8xr137xr63xh 8xh41xl136xr 51xl179xh63x r21xh170xh19 9xl151xc152x r189xh42xh9x h64xl126xh6x h4xh61xl99xr 115xh94xl126 xr143xr180xh 53xl42xr23xh 171xh201xl15 5xc156xr191x h44xh11xh66x l129xh19xh39 xl2xr86xl138 xr124xh97xl1 29xr146xr182 xh55xl44xr25 xh173xh202xl 157xc158xr19 2xh45xh12xh6 7xl130xh20xh 40xl3xr87xl1 39xr125xh98x l130xr147xr1 83xh56xl45xr 26xh174xh204 xl161xc162xr 195xh48xh15x h70xl133xh35 xh112xh75xh8 2xl133xr117x h91xl103xr12 0xh88xl75xr1 40xr187xh59x l48xr29xh177 xh206xl165xc 166xr197xh50 xh17xh72xl13 5xh37xh114xh 77xh84xl135x r119xh93xl10 5xr122xh90xl 77xr142xr188 xh60xl50xr30 xh178xh207xl 167xc168xr19 6xh49xh16xh7 1xl134xh36xh 113xh76xh83x l134xr118xh9 2xl104xr121x h89xl76xr141 xr186xh58xl4 9xr28xh176xh 205xl163xc16 4xr194xh47xh 14xh69xl132x h34xh111xh74 xh79xl102xr1 07xh32xh109x h81xl74xr132 xr185xh57xl4 7xr27xh175xh 200xl153xc15 4xr190xh43xh 10xh65xl127x h7xh5xh62xl1 00xr116xh95x l127xr144xr1 81xh54xl43xr 24xh172xh203 xl159xc160xr 193xh46xh13x h68xl184xh52 xl46xr22xh16 9xh198xl148x c149xr150xr1 31xh33xh110x h73xh78xl101 xr106xh31xh1 08xh80xl73xr 131xm1xh39xh 19xh129xl96x l144xr124xh8 7xl39xr137xr 64xh9xh41xl1 36xr51xl177x h64xr21xh168 xh197xl149xc 150xr192xh49 xh17xh72xl13 4xh37xh115xh 77xh85xl134x r120xh91xl10 4xr122xh89xl 77xr139xr185 xh59xl49xr29 xh175xh201xl 157xc158xr19 0xh45xh13xh6 8xl130xh20xh 40xl2xr88xl1 38xr125xh97x l130xr145xr1 81xh56xl45xr 26xh172xh200 xl155xc156xr 189xh44xh12x h67xl128xh8x h5xh63xl100x r119xh95xl12 8xr143xr179x h54xl44xr24x h170xh198xl1 51xc152xr187 xh42xh10xh65 xl126xh6xh3x h61xl98xr117 xh93xl126xr1 41xr178xh53x l42xr23xh169 xh199xl153xc 154xr188xh43 xh11xh66xl12 7xh7xh4xh62x l99xr118xh94 xl127xr142xr 180xh55xl43x r25xh171xh20 3xl161xc162x r193xh47xh15 xh70xl132xh3 5xh113xh75xh 80xl102xr107 xh32xh110xh8 3xl75xr132xr 183xh57xl47x r27xh173xh20 4xl163xc164x r194xh48xh16 xh71xl133xh3 6xh114xh76xh 81xl103xr108 xh33xh111xh8 4xl76xr133xr 184xh58xl48x r28xh174xh20 5xl165xc166x r195xh50xh18 xh73xl135xh3 8xh116xh78xh 86xl135xr121 xh92xl105xr1 23xh90xl78xr 140xr186xh60 xl50xr30xh17 6xh202xl159x c160xr191xh4 6xh14xh69xl1 82xh52xl46xr 22xh167xh196 xl146xc147xr 148xr131xh34 xh112xh74xh7 9xl101xr106x h31xh109xh82 xl74xr131xsh 4xh7xc18xh20 xc31xh37xc41 xh60xc63xh72 xc136Hxc8xh1 7xc21xh30H2x c1xh3H3xcxlH xc151xc152xr xlHxc153xc15 4xrxlHxc155x c156xrxlHxc1 57xc158xrxlH xc159xc160xr xlHxc161xc16 2xrxlHxc163x c164xrxlHxc1 65xc166xrxlH xc167xc168xr xlH2xc99xc11 5xc143xrxlH2 xc100xc116xc 144xrxlH2xc1 01xc106xc108 xrxlH2xc102x c107xc109xrx lHxc123xc137 xc145xrxlHxc 124xc138xc14 6xrxlHxc125x c139xc147xrx lH2xc148xc14 9xc150xrxlH3 xc103xc117xc 120xc140xrxl H3xc104xc118 xc121xc141xr xlH3xc105xc1 19xc122xc142 xrxm3xh8xc19 xh20xc31xh38 xc41xh60xc64 xh73xc136Hxc 9xh18xc21xh3 0H2xc1xh2H3x cxlHxc149xc1 50xrxlHxc151 xc152xrxlHxc 153xc154xrxl Hxc155xc156x rxlHxc157xc1 58xrxlHxc159 xc160xrxlHxc 161xc162xrxl Hxc163xc164x rxlHxc165xc1 66xrxlH2xc98 xc117xc141xr xlH2xc99xc11 8xc142xrxlH2 xc100xc119xc 143xrxlH2xc1 01xc106xc109 xrxlH2xc102x c107xc110xrx lH2xc103xc10 8xc111xrxlHx c124xc137xc1 44xrxlHxc125 xc138xc145xr xlH2xc146xc1 47xc148xrxlH 3xc104xc120x c122xc139xrx lH3xc105xc12 1xc123xc140x rxspxh22xst4 1xhxc42xhxc4 3xhxc44xhxc4 5xhxc46xhxc4 7xhxc48xhxc4 9xhxc50xhxc5 1xpxc52xpxc5 3xpxc54xpxc5 5xpxc56xpxc5 7xpxc58xpxc5 9xpxc60xpxc6 3xpxc64xpxc6 5xpxc66xpxc6 7xpxc68xpxc6 9xpxc70xpxc7 1xpxc72xpxm4 1xhxc42xhxc4 3xhxc44xhxc4 5xhxc46xhxc4 7xhxc48xhxc4 9xhxc50xhxc5 1xpxc52xpxc5 3xpxc54xpxc5 5xpxc56xpxc5 7xpxc58xpxc5 9xpxc60xpxc6 4xpxc65xpxc6 6xpxc67xpxc6 8xpxc69xpxc7 0xpxc71xpxc7 2xpxc73xpxsm 00xss1

Structure files

MOL file ; PDB file

Conformation
From X-ray data

Updated: 21 July 2006