![1GZ 1GZ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/1GZ.svg) | 1GZ | Name: | methylthioacryloyl-CoA | Formula: | C25 H40 N7 O17 P3 S2 | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=CSC | InChi: | InChI=1S/C25H40N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h5,8,12-14,18-20,24,35-36H,4,6-7,9-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b8-5+/t14-,18-,19-,20+,24-/m1/s1 | Definition date: | 2013-02-01 | Last modified: | 2014-09-05 | Release date: | 2013-06-05 | Identifier: | S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2E)-3-(methylsulfanyl)prop-2-enethioate (non-preferred name) |
|
![M7C M7C](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/M7C.svg) | M7C | Name: | N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide | Formula: | C15 H16 N2 O7 S | SMILES: | O=C3NC(=N/C(=O)c1ccccc1)/SC32OC(C(O)C(O)C2O)CO | InChi: | InChI=1S/C15H16N2O7S/c18-6-8-9(19)10(20)11(21)15(24-8)13(23)17-14(25-15)16-12(22)7-4-2-1-3-5-7/h1-5,8-11,18-21H,6H2,(H,16,17,22,23)/t8-,9-,10+,11-,15-/m1/s1 | Definition date: | 2014-03-15 | Last modified: | 2014-08-01 | Release date: | 2014-08-06 | Identifier: | N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]benzamide |
|
![M8P M8P](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/M8P.svg) | M8P | Name: | N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide | Formula: | C19 H18 N2 O7 S | SMILES: | O=C4NC(=N/C(=O)c2cc1ccccc1cc2)/SC43OC(C(O)C(O)C3O)CO | InChi: | InChI=1S/C19H18N2O7S/c22-8-12-13(23)14(24)15(25)19(28-12)17(27)21-18(29-19)20-16(26)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,22-25H,8H2,(H,20,21,26,27)/t12-,13-,14+,15-,19-/m1/s1 | Definition date: | 2014-03-15 | Last modified: | 2014-08-01 | Release date: | 2014-08-06 | Identifier: | N-[(2Z,5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-4-oxo-6-oxa-1-thia-3-azaspiro[4.5]dec-2-ylidene]naphthalene-2-carboxamide |
|
![MIF MIF](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/MIF.svg) | MIF | Name: | (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one | Formula: | C8 H12 N2 O6 S | SMILES: | O=C2NC(=[N@H])SC21OC(C(O)C(O)C1O)CO | InChi: | InChI=1S/C8H12N2O6S/c9-7-10-6(15)8(17-7)5(14)4(13)3(12)2(1-11)16-8/h2-5,11-14H,1H2,(H2,9,10,15)/t2-,3-,4+,5-,8-/m1/s1 | Definition date: | 2014-03-15 | Last modified: | 2014-08-01 | Release date: | 2014-08-06 | Identifier: | (5R,7R,8S,9S,10R)-8,9,10-trihydroxy-7-(hydroxymethyl)-2-imino-6-oxa-1-thia-3-azaspiro[4.5]decan-4-one |
|
![30V 30V](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/30V.svg) | 30V | Name: | S-[(2-carbamoylphenyl)selanyl]-L-cysteine | Formula: | C10 H12 N2 O3 S Se | SMILES: | O=C(O)C(N)CS[Se]c1ccccc1C(=O)N | InChi: | InChI=1S/C10H12N2O3SSe/c11-7(10(14)15)5-16-17-8-4-2-1-3-6(8)9(12)13/h1-4,7H,5,11H2,(H2,12,13)(H,14,15)/t7-/m0/s1 | Definition date: | 2014-05-15 | Last modified: | 2014-07-03 | Release date: | 2014-07-08 | Identifier: | S-[(2-carbamoylphenyl)selanyl]-L-cysteine |
|
![31Q 31Q](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/31Q.svg) | 31Q | Name: | (4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury | Formula: | C10 H11 Hg N O4 S | SMILES: | O=C(O)C(N)CS[Hg]c1ccc(C(=O)O)cc1 | InChi: | InChI=1S/C7H5O2.C3H7NO2S.Hg/c8-7(9)6-4-2-1-3-5-6 | Definition date: | 2014-05-22 | Last modified: | 2014-07-03 | Release date: | 2014-07-08 | Identifier: | (4-carboxyphenyl)(L-cysteinato-kappaS~3~)mercury |
|
![ZHK ZHK](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/ZHK.svg) | ZHK | Name: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide | Formula: | C20 H15 Cl2 N5 O4 S2 | SMILES: | N#CC2=C(N=C(SC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)C)NC2=O)c3ccc(Cl)c(Cl)c3 | InChi: | InChI=1S/C20H15Cl2N5O4S2/c1-10(18(28)25-12-3-5-13(6-4-12)33(24,30)31)32-20-26-17(14(9-23)19(29)27-20)11-2-7-15(21)16(22)8-11/h2-8,10H,1H3,(H,25,28)(H2,24,30,31)(H,26,27,29)/t10-/m1/s1 | Definition date: | 2013-04-05 | Last modified: | 2014-05-29 | Release date: | 2013-05-22 | Identifier: | (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide |
|
![1U1 1U1](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/1U1.svg) | 1U1 | Name: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid | Formula: | C5 H4 Cl N O4 S2 | SMILES: | O=S(=O)(c1c(sc(Cl)c1)C(=O)O)N | InChi: | InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11) | Definition date: | 2013-06-05 | Last modified: | 2014-05-16 | Release date: | 2014-05-21 | Identifier: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid |
|
![2O8 2O8](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/2O8.svg) | 2O8 | Name: | 4-[(trifluoromethyl)sulfanyl]benzamide | Formula: | C8 H6 F3 N O S | SMILES: | FC(F)(F)Sc1ccc(cc1)C(=O)N | InChi: | InChI=1S/C8H6F3NOS/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13) | Definition date: | 2013-12-13 | Last modified: | 2014-05-09 | Release date: | 2014-05-14 | Identifier: | 4-[(trifluoromethyl)sulfanyl]benzamide |
|
![IBH IBH](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/IBH.svg) | IBH | Name: | (NZ)-2-[2,6-bis(fluoranyl)phenyl]-N-[5-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)-1-oxidanyl-ethyl]-3H-1,3,4-thiadiazol-2-ylidene]ethanamide | Formula: | C16 H14 F2 N4 O2 S2 | SMILES: | O=C(N=C1/SC(=NN1)C(O)(c2nc(cs2)C)C)Cc3c(F)cccc3F | InChi: | InChI=1S/C16H14F2N4O2S2/c1-8-7-25-13(19-8)16(2,24)14-21-22-15(26-14)20-12(23)6-9-10(17)4-3-5-11(9)18/h3-5,7,24H,6H2,1-2H3,(H,20,22,23)/t16-/m0/s1 | Definition date: | 2013-05-31 | Last modified: | 2014-05-09 | Release date: | 2013-12-11 | Identifier: | 2-(2,6-difluorophenyl)-N-[(2Z)-5-[(1R)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3,4-thiadiazol-2(3H)-ylidene]acetamide |
|
![S0B S0B](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/S0B.svg) | S0B | Name: | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine | Formula: | C12 H16 N2 S | SMILES: | N1=C(SC(C)C1)NCCc2ccccc2 | InChi: | InChI=1S/C12H16N2S/c1-10-9-14-12(15-10)13-8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m1/s1 | Definition date: | 2013-11-06 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine |
|
![S0E S0E](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/S0E.svg) | S0E | Name: | 6-(trifluoromethyl)-1,3-benzothiazol-2-amine | Formula: | C8 H5 F3 N2 S | SMILES: | FC(F)(F)c1ccc2nc(sc2c1)N | InChi: | InChI=1S/C8H5F3N2S/c9-8(10,11)4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13) | Definition date: | 2013-11-06 | Last modified: | 2014-04-11 | Release date: | 2014-04-16 | Identifier: | 6-(trifluoromethyl)-1,3-benzothiazol-2-amine |
|
![JS3 JS3](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/JS3.svg) | JS3 | Name: | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide | Formula: | C15 H11 Cl N2 O S | SMILES: | O=C(c1sc(Cl)nc1C)Nc3cc2ccccc2cc3 | InChi: | InChI=1S/C15H11ClN2OS/c1-9-13(20-15(16)17-9)14(19)18-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H,18,19) | Definition date: | 2013-04-08 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | 2-chloro-4-methyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
|
![JTT JTT](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/JTT.svg) | JTT | Name: | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide | Formula: | C16 H14 N2 O S | SMILES: | O=C(c1sc(nc1C)C)Nc3cc2ccccc2cc3 | InChi: | InChI=1S/C16H14N2OS/c1-10-15(20-11(2)17-10)16(19)18-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,18,19) | Definition date: | 2013-04-02 | Last modified: | 2014-03-21 | Release date: | 2014-03-26 | Identifier: | 2,4-dimethyl-N-(naphthalen-2-yl)-1,3-thiazole-5-carboxamide |
|
![7I6 7I6](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/7I6.svg) | 7I6 | Name: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea | Formula: | C24 H32 N4 O2 S2 | SMILES: | O=C(N2C(c1c(SC)cccc1)CCC2)C(NC(=O)NCc3ccc(N)cc3)CCSC | InChi: | InChI=1S/C24H32N4O2S2/c1-31-15-13-20(27-24(30)26-16-17-9-11-18(25)12-10-17)23(29)28-14-5-7-21(28)19-6-3-4-8-22(19)32-2/h3-4,6,8-12,20-21H,5,7,13-16,25H2,1-2H3,(H2,26,27,30)/t20-,21+/m0/s1 | Definition date: | 2013-02-15 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 1-(4-aminobenzyl)-3-[(2S)-4-(methylsulfanyl)-1-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-1-oxobutan-2-yl]urea |
|
![6B4 6B4](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/6B4.svg) | 6B4 | Name: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea | Formula: | C21 H26 N4 O2 S | SMILES: | O=C(N2C(c1c(SC)cccc1)CCC2)CNC(=O)NCc3ccc(N)cc3 | InChi: | InChI=1S/C21H26N4O2S/c1-28-19-7-3-2-5-17(19)18-6-4-12-25(18)20(26)14-24-21(27)23-13-15-8-10-16(22)11-9-15/h2-3,5,7-11,18H,4,6,12-14,22H2,1H3,(H2,23,24,27)/t18-/m1/s1 | Definition date: | 2013-02-15 | Last modified: | 2014-02-14 | Release date: | 2014-02-19 | Identifier: | 1-(4-aminobenzyl)-3-(2-{(2R)-2-[2-(methylsulfanyl)phenyl]pyrrolidin-1-yl}-2-oxoethyl)urea |
|
![AWJ AWJ](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/AWJ.svg) | AWJ | Name: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol | Formula: | C22 H25 F N6 O3 S | SMILES: | Fc2cc(c(N1NC=CN1)cc2)C(Oc4cc(c3sc(nc3C)C(O)(C)CO)cnc4N)C | InChi: | InChI=1S/C22H25FN6O3S/c1-12-19(33-21(28-12)22(3,31)11-30)14-8-18(20(24)25-10-14)32-13(2)16-9-15(23)4-5-17(16)29-26-6-7-27-29/h4-10,13,26-27,30-31H,11H2,1-3H3,(H2,24,25)/t13-,22-/m1/s1 | Definition date: | 2013-10-30 | Last modified: | 2014-01-24 | Release date: | 2014-01-29 | Identifier: | (2R)-2-[5-(6-amino-5-{(1R)-1-[2-(1,3-dihydro-2H-1,2,3-triazol-2-yl)-5-fluorophenyl]ethoxy}pyridin-3-yl)-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol |
|
![G7K G7K](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/G7K.svg) | G7K | Name: | trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol | Formula: | C24 H23 F3 N6 O2 S | SMILES: | Fc1ccc(cc1)C(F)(F)c2nc(nc(c2)Nc3nc4ccc(nc4s3)OC)NC5CCC(O)CC5 | InChi: | InChI=1S/C24H23F3N6O2S/c1-35-20-11-10-17-21(33-20)36-23(29-17)32-19-12-18(24(26,27)13-2-4-14(25)5-3-13)30-22(31-19)28-15-6-8-16(34)9-7-15/h2-5,10-12,15-16,34H,6-9H2,1H3,(H2,28,29,30,31,32)/t15-,16- | Definition date: | 2013-07-10 | Last modified: | 2014-01-17 | Release date: | 2014-01-22 | Identifier: | trans-4-({4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]pyrimidin-2-yl}amino)cyclohexanol |
|
![27S 27S](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/27S.svg) | 27S | Name: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid | Formula: | C16 H23 N3 O5 S | SMILES: | O=C(O)C2=CC1(SC(=NC1=O)N)C(NC(=O)C)C(OC(CC)CC)C2 | InChi: | InChI=1S/C16H23N3O5S/c1-4-10(5-2)24-11-6-9(13(21)22)7-16(12(11)18-8(3)20)14(23)19-15(17)25-16/h7,10-12H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H2,17,19,23)/t11-,12+,16-/m1/s1 | Definition date: | 2013-09-06 | Last modified: | 2014-01-10 | Release date: | 2014-01-15 | Identifier: | (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid |
|
![27V 27V](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/27V.svg) | 27V | Name: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid | Formula: | C16 H23 N3 O5 S | SMILES: | O=C(O)C2=CC1(SC(=[N@H])NC1=O)C(NC(=O)C)C(OC(CC)CC)C2 | InChi: | InChI=1S/C16H23N3O5S/c1-4-10(5-2)24-11-6-9(13(21)22)7-16(12(11)18-8(3)20)14(23)19-15(17)25-16/h7,10-12H,4-6H2,1-3H3,(H,18,20)(H,21,22)(H2,17,19,23)/t11-,12+,16+/m1/s1 | Definition date: | 2013-09-06 | Last modified: | 2014-01-10 | Release date: | 2014-01-15 | Identifier: | (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid |
|
![0T2 0T2](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/0T2.svg) | 0T2 | Name: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide | Formula: | C28 H24 Cl F N6 O3 S | SMILES: | N#CC(Oc1cccc(c1Cl)C(=O)Nc2c(F)ccc(c2)N(c3nc4sc(nc4cc3)NC(=O)C5CC5)C)(C)C | InChi: | InChI=1S/C28H24ClFN6O3S/c1-28(2,14-31)39-21-6-4-5-17(23(21)29)25(38)32-20-13-16(9-10-18(20)30)36(3)22-12-11-19-26(34-22)40-27(33-19)35-24(37)15-7-8-15/h4-6,9-13,15H,7-8H2,1-3H3,(H,32,38)(H,33,35,37) | Definition date: | 2012-05-30 | Last modified: | 2014-01-03 | Release date: | 2014-01-08 | Identifier: | 2-chloro-3-[(2-cyanopropan-2-yl)oxy]-N-{5-[{2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}(methyl)amino]-2-fluorophenyl}benzamide |
|
![TD6 TD6](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TD6.svg) | TD6 | Name: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid | Formula: | C16 H25 N4 O10 P2 S | SMILES: | O=C(O)CCC(O)c1sc(c(n1Cc2cnc(nc2N)C)C)CCOP(=O)(O)OP(=O)(O)O | InChi: | InChI=1S/C16H26N4O10P2S/c1-9-13(5-6-29-32(27,28)30-31(24,25)26)33-16(12(21)3-4-14(22)23)20(9)8-11-7-18-10(2)19-15(11)17/h7,12,20-21H,3-6,8H2,1-2H3,(H,22,23)(H,27,28)(H2,17,18,19)(H2,24,25,26)/t12-/m0/s1 | Definition date: | 2013-02-08 | Last modified: | 2013-11-08 | Release date: | 2013-11-13 | Identifier: | (4S)-4-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3lambda~5~-thiazol-2-yl}-4-hydroxybutanoic acid |
|
![TD8 TD8](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TD8.svg) | TD8 | Name: | (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate | Formula: | C17 H27 N4 O10 P2 S | SMILES: | [O-]C(=O)CCCC(O)c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP([O-])(=O)OP([O-])([O-])=O | InChi: | InChI=1S/C17H26N4O10P2S/c1-10-14(6-7-30-33(28,29)31-32(25,26)27)34-17(13(22)4-3-5-15(23)24)21(10)9-12-8-19-11(2)20-16(12)18/h8,13,22H,3-7,9H2,1-2H3,(H5-,18,19,20,23,24,25,26,27,28,29)/p-3/t13-/m1/s1 | Definition date: | 2013-02-22 | Last modified: | 2013-11-08 | Release date: | 2013-11-13 | Identifier: | (5R)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate |
|
![TD9 TD9](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TD9.svg) | TD9 | Name: | (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate | Formula: | C17 H27 N4 O10 P2 S | SMILES: | [O-]C(=O)CCCC(O)c1sc(c([n+]1Cc2cnc(nc2N)C)C)CCOP([O-])(=O)OP([O-])([O-])=O | InChi: | InChI=1S/C17H26N4O10P2S/c1-10-14(6-7-30-33(28,29)31-32(25,26)27)34-17(13(22)4-3-5-15(23)24)21(10)9-12-8-19-11(2)20-16(12)18/h8,13,22H,3-7,9H2,1-2H3,(H5-,18,19,20,23,24,25,26,27,28,29)/p-3/t13-/m0/s1 | Definition date: | 2013-02-22 | Last modified: | 2013-11-08 | Release date: | 2013-11-13 | Identifier: | (5S)-5-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)-1,3-thiazol-3-ium-2-yl}-5-hydroxypentanoate |
|
![TDW TDW](https://data.pdbjbk1.pdbj.org/pdbjplus/data/cc/svg/TDW.svg) | TDW | Name: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-[(1S)-1-oxidanylethyl]-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C14 H23 N4 O8 P2 S | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc(C(O)C)n(c1C)Cc2cnc(nc2N)C | InChi: | InChI=1S/C14H24N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,9,18-19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)/t9-/m0/s1 | Definition date: | 2013-02-08 | Last modified: | 2013-11-08 | Release date: | 2013-11-13 | Identifier: | 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-hydroxyethyl]-4-methyl-1,3lambda~5~-thiazol-5-yl}ethyl trihydrogen diphosphate |
|