![733 733](https://data.pdbj.org/pdbjplus/data/cc/svg/733.svg) | 733 | Name: | 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide | Formula: | C18 H13 Cl3 F N3 O | SMILES: | Clc1ccc(Cl)c(Cl)c1CNc2c3cc(F)cc(C(=O)N)c3nc(c2)C | InChi: | InChI=1S/C18H13Cl3FN3O/c1-8-4-15(24-7-12-13(19)2-3-14(20)16(12)21)10-5-9(22)6-11(18(23)26)17(10)25-8/h2-6H,7H2,1H3,(H2,23,26)(H,24,25) | Definition date: | 2015-01-17 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 6-fluoro-2-methyl-4-[(2,3,6-trichlorobenzyl)amino]quinoline-8-carboxamide |
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![EF4 EF4](https://data.pdbj.org/pdbjplus/data/cc/svg/EF4.svg) | EF4 | Name: | oligomycin C | Formula: | C45 H74 O10 | SMILES: | CC(CC3OC2(C(C)C1C(C(CCC(C=CC=CCC(C(C(C(C(C(C(C(C(C(C(C=CC(O1)=O)C)O)C)=O)C)O)C)=O)C)O)C)CC)O2)C)CCC3C)O | InChi: | InChI=1S/C45H74O10/c1-12-35-17-15-13-14-16-26(3)39(48)30(7)41(50)32(9)43(52)33(10)42(51)31(8)40(49)27(4)18-21-38(47)53-44-29(6)36(20-19-35)54-45(34(44)11)23-22-25(2)37(55-45)24-28(5)46/h13-15,17-18,21,25-37,39-40,43-44,46,48-49,52H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26+,27-,28+,29+,30-,31-,32+,33-,34-,35-,36-,37-,39-,40+,43-,44+,45-/m0/s1 | Definition date: | 2015-05-29 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | (1R,4E,5'S,6S,6'S,7R,8S,10R,11S,12S,14S,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,15-trihydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione |
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![EFB EFB](https://data.pdbj.org/pdbjplus/data/cc/svg/EFB.svg) | EFB | Name: | oligomycin B | Formula: | C45 H72 O12 | SMILES: | CC1C3(OC2C(C1OC(=O)C=CC(C)C(O)C(C)C(=O)C(C(O)C(C)C(=O)C(C(O)C(CC=CC=CC(CC)CC2)C)(C)O)C)C)C(CC(C)C(O3)CC(C)O)=O | InChi: | InChI=1S/C45H72O12/c1-12-33-17-15-13-14-16-25(3)42(52)44(11,54)43(53)31(9)40(51)30(8)39(50)29(7)38(49)24(2)18-21-37(48)55-41-28(6)34(20-19-33)56-45(32(41)10)36(47)22-26(4)35(57-45)23-27(5)46/h13-15,17-18,21,24-35,38,40-42,46,49,51-52,54H,12,16,19-20,22-23H2,1-11H3/b14-13+,17-15+,21-18+/t24-,25+,26-,27+,28+,29-,30-,31-,32-,33-,34-,35-,38+,40+,41+,42-,44+,45+/m0/s1 | Definition date: | 2015-05-29 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27S,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-5',6'-dihydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,3',9,13(4'H)-tetrone |
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![DF5 DF5](https://data.pdbj.org/pdbjplus/data/cc/svg/DF5.svg) | DF5 | Name: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium | Formula: | C17 H15 N2 O4 S | SMILES: | O=S(=O)(N)c1ccc(cc1)C(=O)[n+]2cccc3c2ccc(c3)OC | InChi: | InChI=1S/C17H15N2O4S/c1-23-14-6-9-16-13(11-14)3-2-10-19(16)17(20)12-4-7-15(8-5-12)24(18,21)22/h2-11H,1H3,(H2,18,21,22)/q+1 | Definition date: | 2015-03-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium |
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![FQI FQI](https://data.pdbj.org/pdbjplus/data/cc/svg/FQI.svg) | FQI | Name: | 5-CHLORO-2-THIOPHENECARBOXAMIDE | Formula: | C5 H4 Cl N O S | SMILES: | O=C(N)c1sc(Cl)cc1 | InChi: | InChI=1S/C5H4ClNOS/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8) | Definition date: | 2014-12-09 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 5-chlorothiophene-2-carboxamide |
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![4F0 4F0](https://data.pdbj.org/pdbjplus/data/cc/svg/4F0.svg) | 4F0 | Name: | (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol | Formula: | C13 H19 N5 O S | SMILES: | c1nc(c3c(n1)c(CN2CC(CSC)C(C2)O)cn3)N | InChi: | InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m0/s1 | Definition date: | 2015-03-13 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | (3S,4R)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol |
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![4K9 4K9](https://data.pdbj.org/pdbjplus/data/cc/svg/4K9.svg) | 4K9 | Name: | 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide | Formula: | C16 H16 N2 O3 S | SMILES: | c1cccc3c1N(C(c2ccc(S(=O)(=O)N)cc2)=O)CCC3 | InChi: | InChI=1S/C16H16N2O3S/c17-22(20,21)14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2,(H2,17,20,21) | Definition date: | 2015-03-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)benzenesulfonamide |
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![4KB 4KB](https://data.pdbj.org/pdbjplus/data/cc/svg/4KB.svg) | 4KB | Name: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide | Formula: | C16 H16 N2 O5 S | SMILES: | c1c(c(cc3c1CN(C(c2ccc(cc2)S(=O)(N)=O)=O)CC3)O)O | InChi: | InChI=1S/C16H16N2O5S/c17-24(22,23)13-3-1-10(2-4-13)16(21)18-6-5-11-7-14(19)15(20)8-12(11)9-18/h1-4,7-8,19-20H,5-6,9H2,(H2,17,22,23) | Definition date: | 2015-03-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 4-[(6,7-dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carbonyl]benzenesulfonamide |
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![4KC 4KC](https://data.pdbj.org/pdbjplus/data/cc/svg/4KC.svg) | 4KC | Name: | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide | Formula: | C16 H16 N2 O3 S | SMILES: | c1cccc3c1CN(C(c2ccc(cc2)S(=O)(=O)N)=O)CC3 | InChi: | InChI=1S/C16H16N2O3S/c17-22(20,21)15-7-5-13(6-8-15)16(19)18-10-9-12-3-1-2-4-14(12)11-18/h1-8H,9-11H2,(H2,17,20,21) | Definition date: | 2015-03-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)benzenesulfonamide |
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![4KD 4KD](https://data.pdbj.org/pdbjplus/data/cc/svg/4KD.svg) | 4KD | Name: | 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide | Formula: | C18 H20 N2 O5 S | SMILES: | COc1cc2CCN(Cc2cc1OC)C(=O)c3ccc(cc3)[S](N)(=O)=O | InChi: | InChI=1S/C18H20N2O5S/c1-24-16-9-13-7-8-20(11-14(13)10-17(16)25-2)18(21)12-3-5-15(6-4-12)26(19,22)23/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,22,23) | Definition date: | 2015-03-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]benzenesulfonamide |
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![4KM 4KM](https://data.pdbj.org/pdbjplus/data/cc/svg/4KM.svg) | 4KM | Name: | tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate | Formula: | C22 H24 F3 N O4 | SMILES: | CN(C(C)=O)c1ccc(OCc2ccc(cc2C(=O)OC(C)(C)C)C(F)(F)F)cc1 | InChi: | InChI=1S/C22H24F3NO4/c1-14(27)26(5)17-8-10-18(11-9-17)29-13-15-6-7-16(22(23,24)25)12-19(15)20(28)30-21(2,3)4/h6-12H,13H2,1-5H3 | Definition date: | 2015-06-18 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | tert-butyl 2-[[4-[ethanoyl(methyl)amino]phenoxy]methyl]-5-(trifluoromethyl)benzoate |
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![4KQ 4KQ](https://data.pdbj.org/pdbjplus/data/cc/svg/4KQ.svg) | 4KQ | Name: | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid | Formula: | C27 H25 F3 O6 | SMILES: | CC(C)(C)OC(=O)c1c(O)c(ccc1COc2ccc(cc2)c3ccc(CC(O)=O)cc3)C(F)(F)F | InChi: | InChI=1S/C27H25F3O6/c1-26(2,3)36-25(34)23-19(10-13-21(24(23)33)27(28,29)30)15-35-20-11-8-18(9-12-20)17-6-4-16(5-7-17)14-22(31)32/h4-13,33H,14-15H2,1-3H3,(H,31,32) | Definition date: | 2015-06-18 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 2-[4-[4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxidanyl-4-(trifluoromethyl)phenyl]methoxy]phenyl]phenyl]ethanoic acid |
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![4L8 4L8](https://data.pdbj.org/pdbjplus/data/cc/svg/4L8.svg) | 4L8 | Name: | (2R)-2-(aminomethyl)-4-methylpentanoic acid | Formula: | C7 H15 N O2 | SMILES: | C(C(CN)C(O)=O)C(C)C | InChi: | InChI=1S/C7H15NO2/c1-5(2)3-6(4-8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t6-/m1/s1 | Definition date: | 2015-04-08 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | (2R)-2-(aminomethyl)-4-methylpentanoic acid |
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![HB2 HB2](https://data.pdbj.org/pdbjplus/data/cc/svg/HB2.svg) | HB2 | Name: | 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol | Formula: | C18 H24 N4 O | SMILES: | n3c1ccccc1c2c(nc(n2CC(O)(C)C)CCCC)c3N | InChi: | InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20) | Definition date: | 2014-08-27 | Last modified: | 2015-08-21 | Release date: | 2015-08-26 | Identifier: | 1-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol |
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![MAD MAD](https://data.pdbj.org/pdbjplus/data/cc/svg/MAD.svg) | MAD | Name: | 6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE | Formula: | C11 H16 N5 O7 P | SMILES: | P(O)(=O)(OCC1OC(C(C1O)O)n2cnc3C(=N)N(C)C=Nc23)O | InChi: | InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1 | Definition date: | 2002-08-28 | Last modified: | 2015-08-19 | Identifier: | 1-methyladenosine 5'-(dihydrogen phosphate) |
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![ZKW ZKW](https://data.pdbj.org/pdbjplus/data/cc/svg/ZKW.svg) | ZKW | Name: | 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid | Formula: | C12 H8 Cl2 N2 O4 | SMILES: | O=C(O)c1cc(nn1Cc2c(Cl)cc(Cl)cc2)C(=O)O | InChi: | InChI=1S/C12H8Cl2N2O4/c13-7-2-1-6(8(14)3-7)5-16-10(12(19)20)4-9(15-16)11(17)18/h1-4H,5H2,(H,17,18)(H,19,20) | Definition date: | 2014-12-03 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | 1-(2,4-dichlorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid |
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![JJD JJD](https://data.pdbj.org/pdbjplus/data/cc/svg/JJD.svg) | JJD | Name: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid | Formula: | C23 H18 F3 N3 O4 | SMILES: | CC(=O)C1=C(C)N(C(=O)N(CC(O)=O)[CH]1c2ccc(cc2)C#N)c3cccc(c3)C(F)(F)F | InChi: | InChI=1S/C23H18F3N3O4/c1-13-20(14(2)30)21(16-8-6-15(11-27)7-9-16)28(12-19(31)32)22(33)29(13)18-5-3-4-17(10-18)23(24,25)26/h3-10,21H,12H2,1-2H3,(H,31,32)/t21-/m1/s1 | Definition date: | 2015-04-17 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid |
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![JJS JJS](https://data.pdbj.org/pdbjplus/data/cc/svg/JJS.svg) | JJS | Name: | 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile | Formula: | C20 H15 F3 N4 O2 | SMILES: | CC(=O)C1=C(C)N(C(=O)N[CH]1c2ccc(nc2)C#N)c3cccc(c3)C(F)(F)F | InChi: | InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1 | Definition date: | 2015-04-17 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile |
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![JJX JJX](https://data.pdbj.org/pdbjplus/data/cc/svg/JJX.svg) | JJX | Name: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile | Formula: | C29 H29 F3 N6 O2 | SMILES: | CC(C)N1CCN(CC1)C(=O)CN2[CH](c3ccc(cc3)C#N)C(=C(C)N(C2=O)c4cccc(c4)C(F)(F)F)C#N | InChi: | InChI=1S/C29H29F3N6O2/c1-19(2)35-11-13-36(14-12-35)26(39)18-37-27(22-9-7-21(16-33)8-10-22)25(17-34)20(3)38(28(37)40)24-6-4-5-23(15-24)29(30,31)32/h4-10,15,19,27H,11-14,18H2,1-3H3/t27-/m1/s1 | Definition date: | 2015-04-17 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile |
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![M81 M81](https://data.pdbj.org/pdbjplus/data/cc/svg/M81.svg) | M81 | Name: | 1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid | Formula: | C12 H9 Cl N2 O4 | SMILES: | O=C(O)c1cc(nn1Cc2c(Cl)cccc2)C(=O)O | InChi: | InChI=1S/C12H9ClN2O4/c13-8-4-2-1-3-7(8)6-15-10(12(18)19)5-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)(H,18,19) | Definition date: | 2014-12-03 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | 1-(2-chlorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid |
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![MZS MZS](https://data.pdbj.org/pdbjplus/data/cc/svg/MZS.svg) | MZS | Name: | 1-[(4-fluorophenyl)methyl]pyrazole-3,5-dicarboxylic acid | Formula: | C12 H9 F N2 O4 | SMILES: | O=C(O)c1cc(nn1Cc2ccc(F)cc2)C(=O)O | InChi: | InChI=1S/C12H9FN2O4/c13-8-3-1-7(2-4-8)6-15-10(12(18)19)5-9(14-15)11(16)17/h1-5H,6H2,(H,16,17)(H,18,19) | Definition date: | 2014-12-03 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | 1-(4-fluorobenzyl)-1H-pyrazole-3,5-dicarboxylic acid |
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![NCU NCU](https://data.pdbj.org/pdbjplus/data/cc/svg/NCU.svg) | NCU | Name: | [(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate | Formula: | C12 H19 N4 O8 P | SMILES: | O=C1N=C(N)C(=CN1C3OC2(C(O)C3ON(C)C2)COP(=O)(O)O)C | InChi: | InChI=1S/C12H19N4O8P/c1-6-3-16(11(18)14-9(6)13)10-7-8(17)12(23-10,4-15(2)24-7)5-22-25(19,20)21/h3,7-8,10,17H,4-5H2,1-2H3,(H2,13,14,18)(H2,19,20,21)/t7-,8+,10-,12-/m1/s1 | Definition date: | 2014-08-05 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | [(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate |
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![4UC 4UC](https://data.pdbj.org/pdbjplus/data/cc/svg/4UC.svg) | 4UC | Name: | N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide | Formula: | C26 H23 N3 O5 S | SMILES: | c4(ccc(NC(c3c1ccccc1nc(c2ccc(OCC)cc2)c3)=O)cc4)S(=O)(=O)NC(=O)C | InChi: | InChI=1S/C26H23N3O5S/c1-3-34-20-12-8-18(9-13-20)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-19-10-14-21(15-11-19)35(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30) | Definition date: | 2015-05-28 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | N-[4-(acetylsulfamoyl)phenyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide |
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![AGW AGW](https://data.pdbj.org/pdbjplus/data/cc/svg/AGW.svg) | AGW | Name: | [(2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-2-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-[oxidanyl-[(2R,3R,4S,5S)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-phosphoryl]oxy-oxolan-3-yl] benzoate | Formula: | C24 H35 O19 P | SMILES: | O=C(OC3C(OC1OC(CO)C(O)C(O)C1O)(OC(CO)C3OP(=O)(OC2C(O)C(O)COC2O)O)CO)c4ccccc4 | InChi: | InChI=1S/C24H35O19P/c25-6-12-15(30)16(31)17(32)23(38-12)41-24(9-27)20(39-21(33)10-4-2-1-3-5-10)18(13(7-26)40-24)42-44(35,36)43-19-14(29)11(28)8-37-22(19)34/h1-5,11-20,22-23,25-32,34H,6-9H2,(H,35,36)/t11-,12+,13+,14-,15-,16+,17+,18+,19+,20-,22+,23+,24-/m0/s1 | Definition date: | 2014-03-20 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | (2S,3S,4R,5R)-2,5-bis(hydroxymethyl)-4-{[(R)-hydroxy{[(2R,3R,4S,5S)-2,4,5-trihydroxytetrahydro-2H-pyran-3-yl]oxy}phosphoryl]oxy}-2-{[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydrofuran-3-yl benzoate (non-preferred name) |
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![4HS 4HS](https://data.pdbj.org/pdbjplus/data/cc/svg/4HS.svg) | 4HS | Name: | 5-bromopyridin-2(1H)-one | Formula: | C5 H4 Br N O | SMILES: | C=1NC(=O)C=CC=1Br | InChi: | InChI=1S/C5H4BrNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8) | Definition date: | 2015-03-19 | Last modified: | 2015-08-14 | Release date: | 2015-08-19 | Identifier: | 5-bromopyridin-2(1H)-one |
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