![HTZ HTZ](https://data.pdbj.org/pdbjplus/data/cc/svg/HTZ.svg) | HTZ | Name: | [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone | Formula: | C36 H40 Cl2 N6 O2 | SMILES: | CN(C)CCCN(C)[CH]1CCN(C1)C(=O)c2[nH]c3cc(Cl)ccc3c2c4n(Cc5ccc(Cl)cc5CO)cnc4c6ccccc6 | InChi: | InChI=1S/C36H40Cl2N6O2/c1-41(2)15-7-16-42(3)29-14-17-43(21-29)36(46)34-32(30-13-12-28(38)19-31(30)40-34)35-33(24-8-5-4-6-9-24)39-23-44(35)20-25-10-11-27(37)18-26(25)22-45/h4-6,8-13,18-19,23,29,40,45H,7,14-17,20-22H2,1-3H3/t29-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | [6-chloranyl-3-[3-[[4-chloranyl-2-(hydroxymethyl)phenyl]methyl]-5-phenyl-imidazol-4-yl]-1~{H}-indol-2-yl]-[(3~{S})-3-[3-(dimethylamino)propyl-methyl-amino]pyrrolidin-1-yl]methanone |
|
![HU8 HU8](https://data.pdbj.org/pdbjplus/data/cc/svg/HU8.svg) | HU8 | Name: | ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide | Formula: | C28 H30 Cl2 F N7 O | SMILES: | CC(C)(C)NC(=O)Cc1ccc(Cl)cc1n2c(nc(c3[nH]nnn3)c2c4ccc(F)c(Cl)c4)C5CCCCC5 | InChi: | InChI=1S/C28H30Cl2FN7O/c1-28(2,3)33-23(39)14-17-9-11-19(29)15-22(17)38-25(18-10-12-21(31)20(30)13-18)24(26-34-36-37-35-26)32-27(38)16-7-5-4-6-8-16/h9-13,15-16H,4-8,14H2,1-3H3,(H,33,39)(H,34,35,36,37) | Definition date: | 2018-12-19 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | ~{N}-~{tert}-butyl-2-[4-chloranyl-2-[5-(3-chloranyl-4-fluoranyl-phenyl)-2-cyclohexyl-4-(1~{H}-1,2,3,4-tetrazol-5-yl)imidazol-1-yl]phenyl]ethanamide |
|
![HUE HUE](https://data.pdbj.org/pdbjplus/data/cc/svg/HUE.svg) | HUE | Name: | 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide | Formula: | C38 H42 Cl2 N6 O | SMILES: | C[CH](n1cnc(c2ccccc2)c1c3c([nH]c4cc(Cl)ccc34)C(=O)NCCN5CCN(CC5)C6CCCCC6)c7ccc(Cl)cc7 | InChi: | InChI=1S/C38H42Cl2N6O/c1-26(27-12-14-29(39)15-13-27)46-25-42-35(28-8-4-2-5-9-28)37(46)34-32-17-16-30(40)24-33(32)43-36(34)38(47)41-18-19-44-20-22-45(23-21-44)31-10-6-3-7-11-31/h2,4-5,8-9,12-17,24-26,31,43H,3,6-7,10-11,18-23H2,1H3,(H,41,47)/t26-/m0/s1 | Definition date: | 2018-12-19 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | 6-chloranyl-3-[3-[(1~{S})-1-(4-chlorophenyl)ethyl]-5-phenyl-imidazol-4-yl]-~{N}-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-1~{H}-indole-2-carboxamide |
|
![BBO BBO](https://data.pdbj.org/pdbjplus/data/cc/svg/BBO.svg) | BBO | Name: | 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | Formula: | C19 H20 N2 O3 | SMILES: | c1c3c4c(cc1)cccc4C(=O)N(CCCN2CCOCC2)C3=O | InChi: | InChI=1S/C19H20N2O3/c22-18-15-6-1-4-14-5-2-7-16(17(14)15)19(23)21(18)9-3-8-20-10-12-24-13-11-20/h1-2,4-7H,3,8-13H2 | Definition date: | 2019-01-31 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | 2-[3-(morpholin-4-yl)propyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione |
|
![BC0 BC0](https://data.pdbj.org/pdbjplus/data/cc/svg/BC0.svg) | BC0 | Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine | Formula: | C20 H19 Cl N4 S2 | SMILES: | N4(C=Cc3c1c(nc(nc1NCC=C)SCc2ccc(cc2)Cl)sc3C4)C | InChi: | InChI=1S/C20H19ClN4S2/c1-3-9-22-18-17-15-8-10-25(2)11-16(15)27-19(17)24-20(23-18)26-12-13-4-6-14(21)7-5-13/h3-8,10H,1,9,11-12H2,2H3,(H,22,23,24) | Definition date: | 2019-01-31 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-methyl-N-(prop-2-en-1-yl)-7,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine |
|
![AWC AWC](https://data.pdbj.org/pdbjplus/data/cc/svg/AWC.svg) | AWC | Name: | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine | Formula: | C13 H15 N2 O7 P Se | SMILES: | P(OCC1OC(CC1O)N2C(=O)NC(=O)C(=C2)c3[se]ccc3)(O)=O | InChi: | InChI=1S/C13H15N2O7PSe/c16-8-4-11(22-9(8)6-21-23(19)20)15-5-7(10-2-1-3-24-10)12(17)14-13(15)18/h1-3,5,8-9,11,16,23H,4,6H2,(H,19,20)(H,14,17,18)/t8-,9+,11+/m0/s1 | Definition date: | 2018-11-28 | Last modified: | 2019-05-10 | Release date: | 2019-05-15 | Identifier: | 2'-deoxy-5'-O-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]-5-selenophen-2-yluridine |
|
![75F 75F](https://data.pdbj.org/pdbjplus/data/cc/svg/75F.svg) | 75F | Name: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one | Formula: | C20 H23 N3 O | SMILES: | CCC2(C1C(CC(CC1=Nc3nncc23)(C)C)=O)c4ccccc4 | InChi: | InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12,17H,4,10-11H2,1-3H3,(H,21,23)/t17-,20-/m0/s1 | Definition date: | 2016-08-26 | Last modified: | 2019-05-08 | Release date: | 2018-02-21 | Identifier: | (4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4,4a,6,7,8-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
|
![ZZD ZZD](https://data.pdbj.org/pdbjplus/data/cc/svg/ZZD.svg) | ZZD | Name: | S-TRITYL-L-CYSTEINE | Formula: | C22 H21 N O2 S | SMILES: | O=C(O)C(N)CSC(c1ccccc1)(c2ccccc2)c3ccccc3 | InChi: | InChI=1S/C22H21NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,23H2,(H,24,25)/t20-/m0/s1 | Definition date: | 2009-07-23 | Last modified: | 2019-05-07 | Identifier: | S-trityl-L-cysteine |
|
![MFO MFO](https://data.pdbj.org/pdbjplus/data/cc/svg/MFO.svg) | MFO | Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C22 H23 N6 O8 P | SMILES: | CC(=O)N(c1ccc2ccccc2c1)c3nc4C(=O)N=C(N)Nc4n3[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5 | InChi: | InChI=1S/C22H23N6O8P/c1-11(29)27(14-7-6-12-4-2-3-5-13(12)8-14)22-24-18-19(25-21(23)26-20(18)31)28(22)17-9-15(30)16(36-17)10-35-37(32,33)34/h2-8,15-17,30H,9-10H2,1H3,(H2,32,33,34)(H3,23,25,26,31)/t15-,16+,17+/m0/s1 | Definition date: | 2016-04-06 | Last modified: | 2019-05-07 | Release date: | 2016-06-01 | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(naphthalen-2-yl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
|
![NDU NDU](https://data.pdbj.org/pdbjplus/data/cc/svg/NDU.svg) | NDU | Name: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE | Formula: | C9 H14 N3 O10 P | SMILES: | [O-][N+](=O)C1C(=O)NC(=O)N(C1)C2OC(C(O)C2)COP(=O)(O)O | InChi: | InChI=1S/C9H14N3O10P/c13-5-1-7(22-6(5)3-21-23(18,19)20)11-2-4(12(16)17)8(14)10-9(11)15/h4-7,13H,1-3H2,(H,10,14,15)(H2,18,19,20)/t4-,5+,6-,7-/m1/s1 | Definition date: | 2007-10-27 | Last modified: | 2019-05-07 | Identifier: | 2'-deoxy-5-nitrouridine 5'-(dihydrogen phosphate) |
|
![6FK 6FK](https://data.pdbj.org/pdbjplus/data/cc/svg/6FK.svg) | 6FK | Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C18 H21 N6 O8 P | SMILES: | CC(=O)N(c1ccccc1)c2nc3C(=O)N=C(N)Nc3n2[CH]4C[CH](O)[CH](CO[P](O)(O)=O)O4 | InChi: | InChI=1S/C18H21N6O8P/c1-9(25)23(10-5-3-2-4-6-10)18-20-14-15(21-17(19)22-16(14)27)24(18)13-7-11(26)12(32-13)8-31-33(28,29)30/h2-6,11-13,26H,7-8H2,1H3,(H2,28,29,30)(H3,19,21,22,27)/t11-,12+,13+/m0/s1 | Definition date: | 2016-04-15 | Last modified: | 2019-05-07 | Release date: | 2016-06-01 | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(phenyl)amino]-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
|
![8YN 8YN](https://data.pdbj.org/pdbjplus/data/cc/svg/8YN.svg) | 8YN | Name: | Pseudoisocytidine | Formula: | C9 H14 N3 O7 P | SMILES: | NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1 | InChi: | InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1 | Definition date: | 2017-03-27 | Last modified: | 2019-05-07 | Release date: | 2017-06-28 | Identifier: | [(2~{R},3~{S},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-pyrimidin-5-yl)-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
|
![9DN 9DN](https://data.pdbj.org/pdbjplus/data/cc/svg/9DN.svg) | 9DN | Name: | DANSYL-L-ASPARAGINE | Formula: | C16 H19 N3 O5 S | SMILES: | O=C(N)CC(C(=O)O)NS(=O)(=O)c1cccc2c1cccc2N(C)C | InChi: | InChI=1S/C16H19N3O5S/c1-19(2)13-7-3-6-11-10(13)5-4-8-14(11)25(23,24)18-12(16(21)22)9-15(17)20/h3-8,12,18H,9H2,1-2H3,(H2,17,20)(H,21,22)/t12-/m0/s1 | Definition date: | 2010-10-28 | Last modified: | 2019-05-07 | Identifier: | N~2~-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-asparagine |
|
![45A 45A](https://data.pdbj.org/pdbjplus/data/cc/svg/45A.svg) | 45A | Name: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine | Formula: | C11 H16 N5 O6 P | SMILES: | O=P(O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C | InChi: | InChI=1S/C11H16N5O6P/c1-23(19,20)21-2-5-7(17)8(18)11(22-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H,19,20)(H2,12,13,14)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2015-02-09 | Last modified: | 2019-05-07 | Release date: | 2015-11-18 | Identifier: | 5'-O-[(S)-hydroxy(methyl)phosphoryl]adenosine |
|
![8PY 8PY](https://data.pdbj.org/pdbjplus/data/cc/svg/8PY.svg) | 8PY | Name: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C28 H25 N6 O8 P | SMILES: | CC(=O)N(c1cc2ccc3cccc4ccc(c1)c2c34)c5nc6C(=O)NC(=Nc6n5[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O7)N | InChi: | InChI=1S/C28H25N6O8P/c1-13(35)33(18-9-16-7-5-14-3-2-4-15-6-8-17(10-18)23(16)22(14)15)28-30-24-25(31-27(29)32-26(24)37)34(28)21-11-19(36)20(42-21)12-41-43(38,39)40/h2-10,19-21,36H,11-12H2,1H3,(H2,38,39,40)(H3,29,31,32,37)/t19-,20+,21+/m0/s1 | Definition date: | 2016-04-22 | Last modified: | 2019-05-07 | Release date: | 2016-06-01 | Identifier: | [(2~{R},3~{S},5~{R})-5-[2-azanyl-8-[ethanoyl(pyren-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
|
![T0I T0I](https://data.pdbj.org/pdbjplus/data/cc/svg/T0I.svg) | T0I | Name: | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid | Formula: | C12 H13 N3 O4 | SMILES: | N[CH](Cc1cc(n2ccnc2)c(O)cc1O)C(O)=O | InChi: | InChI=1S/C12H13N3O4/c13-8(12(18)19)3-7-4-9(11(17)5-10(7)16)15-2-1-14-6-15/h1-2,4-6,8,16-17H,3,13H2,(H,18,19)/t8-/m0/s1 | Definition date: | 2011-01-31 | Last modified: | 2019-05-07 | Identifier: | (2S)-2-amino-3-(2,4-dihydroxy-5-imidazol-1-yl-phenyl)propanoic acid |
|
![LAY LAY](https://data.pdbj.org/pdbjplus/data/cc/svg/LAY.svg) | LAY | Name: | N-acetyl-L-leucine | Formula: | C8 H15 N O3 | SMILES: | O=C(NC(C(=O)O)CC(C)C)C | InChi: | InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1 | Definition date: | 2015-01-22 | Last modified: | 2019-05-06 | Release date: | 2016-01-27 | Identifier: | N-acetyl-L-leucine |
|
![EAN EAN](https://data.pdbj.org/pdbjplus/data/cc/svg/EAN.svg) | EAN | Name: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | Formula: | C13 H17 N2 O8 P | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)NC1=O | InChi: | InChI=1S/C13H17N2O8P/c1-6-5-15(11(17)14-9(6)16)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1 | Definition date: | 2018-03-12 | Last modified: | 2019-05-06 | Release date: | 2018-06-06 | Identifier: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
|
![N79 N79](https://data.pdbj.org/pdbjplus/data/cc/svg/N79.svg) | N79 | Name: | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate | Formula: | C17 H18 B N5 O8 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[B-]5(OCc6ccccc56)O[CH]34 | InChi: | InChI=1S/C17H18BN5O8P/c19-15-12-16(21-7-20-15)23(8-22-12)17-14-13(11(29-17)6-28-32(24,25)26)30-18(31-14)10-4-2-1-3-9(10)5-27-18/h1-4,7-8,11,13-14,17H,5-6H2,(H2,19,20,21)(H2,24,25,26)/q-1/t11-,13-,14-,17-,18+/m1/s1 | Definition date: | 2012-04-24 | Last modified: | 2019-05-06 | Identifier: | [(1S,5R,6R,8R)-6-(6-aminopurin-9-yl)spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-8-yl]methyl dihydrogen phosphate |
|
![F4Q F4Q](https://data.pdbj.org/pdbjplus/data/cc/svg/F4Q.svg) | F4Q | Name: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | Formula: | C13 H16 N5 O7 P | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O[P](O)(O)=O)[CH]4O3 | InChi: | InChI=1S/C13H16N5O7P/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,10(12)24-6)25-26(21,22)23/h4-6,10,20H,1-3H2,(H2,21,22,23)(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1 | Definition date: | 2018-05-30 | Last modified: | 2019-05-06 | Release date: | 2018-06-06 | Identifier: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
|
![F7H F7H](https://data.pdbj.org/pdbjplus/data/cc/svg/F7H.svg) | F7H | Name: | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one | Formula: | C13 H17 N3 O4 | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N | InChi: | InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1 | Definition date: | 2018-06-06 | Last modified: | 2019-05-06 | Release date: | 2018-06-13 | Identifier: | 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one |
|
![F7K F7K](https://data.pdbj.org/pdbjplus/data/cc/svg/F7K.svg) | F7K | Name: | 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one | Formula: | C13 H15 N5 O4 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5C[C]5(O)[CH]4O3 | InChi: | InChI=1S/C13H15N5O4/c14-11-16-8-7(9(19)17-11)15-4-18(8)6-3-12(20)1-5-2-13(5,21)10(12)22-6/h4-6,10,20-21H,1-3H2,(H3,14,16,17,19)/t5-,6-,10+,12+,13-/m1/s1 | Definition date: | 2018-06-07 | Last modified: | 2019-05-06 | Release date: | 2018-06-13 | Identifier: | 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one |
|
![TCJ TCJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TCJ.svg) | TCJ | Name: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate | Formula: | C13 H18 N3 O7 P | SMILES: | CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O[P](O)(O)=O)[CH]3O2)C(=O)N=C1N | InChi: | InChI=1S/C13H18N3O7P/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,10(12)22-8)23-24(19,20)21/h5,7-8,10,18H,2-4H2,1H3,(H2,14,15,17)(H2,19,20,21)/t7-,8-,10+,12+,13-/m1/s1 | Definition date: | 2018-03-12 | Last modified: | 2019-05-06 | Release date: | 2018-06-06 | Identifier: | [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate |
|
![B8H B8H](https://data.pdbj.org/pdbjplus/data/cc/svg/B8H.svg) | B8H | Name: | [(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C10 H15 N2 O9 P | SMILES: | CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O | InChi: | InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6-,7-,8+/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-05-06 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|
![B8K B8K](https://data.pdbj.org/pdbjplus/data/cc/svg/B8K.svg) | B8K | Name: | 7-acetyl, guanosine-5'-monophosphate | Formula: | C12 H18 N5 O9 P | SMILES: | CC(=O)N1CN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N | InChi: | InChI=1S/C12H18N5O9P/c1-4(18)16-3-17(9-6(16)10(21)15-12(13)14-9)11-8(20)7(19)5(26-11)2-25-27(22,23)24/h5,7-8,11,19-20H,2-3H2,1H3,(H2,22,23,24)(H3,13,14,15,21)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2017-09-25 | Last modified: | 2019-05-06 | Release date: | 2018-01-24 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
|