![7BH 7BH](https://data.pdbj.org/pdbjplus/data/cc/svg/7BH.svg) | 7BH | Name: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine | Formula: | C17 H19 N5 O | SMILES: | Cc1ccccc1OC[CH]2CCCN2c3ncnc4nc[nH]c34 | InChi: | InChI=1S/C17H19N5O/c1-12-5-2-3-7-14(12)23-9-13-6-4-8-22(13)17-15-16(19-10-18-15)20-11-21-17/h2-3,5,7,10-11,13H,4,6,8-9H2,1H3,(H,18,19,20,21)/t13-/m1/s1 | Definition date: | 2016-09-29 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | 6-[(2~{R})-2-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]-7~{H}-purine |
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![7C8 7C8](https://data.pdbj.org/pdbjplus/data/cc/svg/7C8.svg) | 7C8 | Name: | [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate | Formula: | C36 H54 Cl2 N2 O4 | SMILES: | C[CH](CCCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C | InChi: | InChI=1S/C36H54Cl2N2O4/c1-23(5-4-12-39-13-15-40(16-14-39)34(43)44-22-24-17-26(37)21-27(38)18-24)29-6-7-30-33-31(9-11-36(29,30)3)35(2)10-8-28(41)19-25(35)20-32(33)42/h17-18,21,23,25,28-33,41-42H,4-16,19-20,22H2,1-3H3/t23-,25+,28-,29-,30+,31+,32+,33+,35+,36-/m1/s1 | Definition date: | 2016-10-05 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | [3,5-bis(chloranyl)phenyl]methyl 4-[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentyl]piperazine-1-carboxylate |
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![7CF 7CF](https://data.pdbj.org/pdbjplus/data/cc/svg/7CF.svg) | 7CF | Name: | [3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate | Formula: | C36 H52 Cl2 N2 O5 | SMILES: | C[CH](CCC(=O)N[CH]1CCN(C1)C(=O)OCc2cc(Cl)cc(Cl)c2)[CH]3CC[CH]4[CH]5[CH](O)C[CH]6C[CH](O)CC[C]6(C)[CH]5CC[C]34C | InChi: | InChI=1S/C36H52Cl2N2O5/c1-21(4-7-32(43)39-26-10-13-40(19-26)34(44)45-20-22-14-24(37)18-25(38)15-22)28-5-6-29-33-30(9-12-36(28,29)3)35(2)11-8-27(41)16-23(35)17-31(33)42/h14-15,18,21,23,26-31,33,41-42H,4-13,16-17,19-20H2,1-3H3,(H,39,43)/t21-,23+,26-,27-,28-,29+,30+,31+,33+,35+,36-/m1/s1 | Definition date: | 2016-10-05 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | [3,5-bis(chloranyl)phenyl]methyl (3~{R})-3-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]pyrrolidine-1-carboxylate |
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![7CR 7CR](https://data.pdbj.org/pdbjplus/data/cc/svg/7CR.svg) | 7CR | Name: | [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate | Formula: | C22 H23 Cl2 N3 O5 | SMILES: | O[CH](CCN1CCN(CC1)C(=O)OCc2cc(Cl)cc(Cl)c2)c3ccc4NC(=O)Oc4c3 | InChi: | InChI=1S/C22H23Cl2N3O5/c23-16-9-14(10-17(24)12-16)13-31-22(30)27-7-5-26(6-8-27)4-3-19(28)15-1-2-18-20(11-15)32-21(29)25-18/h1-2,9-12,19,28H,3-8,13H2,(H,25,29)/t19-/m1/s1 | Definition date: | 2016-10-05 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | [3,5-bis(chloranyl)phenyl]methyl 4-[(3~{R})-3-oxidanyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate |
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![7CW 7CW](https://data.pdbj.org/pdbjplus/data/cc/svg/7CW.svg) | 7CW | Name: | [3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate | Formula: | C34 H50 Cl2 N2 O5 | SMILES: | C[CH](CCC(=O)NCCNC(=O)OCc1cc(Cl)cc(Cl)c1)[CH]2CC[CH]3[CH]4[CH](O)C[CH]5C[CH](O)CC[C]5(C)[CH]4CC[C]23C | InChi: | InChI=1S/C34H50Cl2N2O5/c1-20(4-7-30(41)37-12-13-38-32(42)43-19-21-14-23(35)18-24(36)15-21)26-5-6-27-31-28(9-11-34(26,27)3)33(2)10-8-25(39)16-22(33)17-29(31)40/h14-15,18,20,22,25-29,31,39-40H,4-13,16-17,19H2,1-3H3,(H,37,41)(H,38,42)/t20-,22+,25-,26-,27+,28+,29+,31+,33+,34-/m1/s1 | Definition date: | 2016-10-06 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | [3,5-bis(chloranyl)phenyl]methyl ~{N}-[2-[[(4~{R})-4-[(3~{R},5~{S},7~{S},8~{R},9~{S},10~{S},13~{R},14~{S},17~{R})-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethyl]carbamate |
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![7GR 7GR](https://data.pdbj.org/pdbjplus/data/cc/svg/7GR.svg) | 7GR | Name: | (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid | Formula: | C17 H26 N3 O7 P | SMILES: | CC(C)C[CH](NC(=O)CN[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O | InChi: | InChI=1S/C17H26N3O7P/c1-12(2)8-14(16(22)23)20-15(21)9-19-28(25,26)11-18-17(24)27-10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,24)(H,20,21)(H,22,23)(H2,19,25,26)/t14-/m0/s1 | Definition date: | 2016-10-21 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | (2~{S})-4-methyl-2-[2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]ethanoylamino]pentanoic acid |
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![7K0 7K0](https://data.pdbj.org/pdbjplus/data/cc/svg/7K0.svg) | 7K0 | Name: | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid | Formula: | C18 H29 N4 O7 P | SMILES: | CC(C)C[CH](NC(=O)[CH](CN)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O | InChi: | InChI=1S/C18H29N4O7P/c1-12(2)8-14(17(24)25)21-16(23)15(9-19)22-30(27,28)11-20-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,19H2,1-2H3,(H,20,26)(H,21,23)(H,24,25)(H2,22,27,28)/t14-,15-/m0/s1 | Definition date: | 2016-11-03 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | (2~{S})-2-[[(2~{S})-3-azanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]-4-methyl-pentanoic acid |
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![80R 80R](https://data.pdbj.org/pdbjplus/data/cc/svg/80R.svg) | 80R | Name: | 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one | Formula: | C13 H9 Cl N4 O3 | SMILES: | [O-][N+](=O)c1ccc(Nc2ccc3NC(=O)Nc3c2)c(Cl)c1 | InChi: | InChI=1S/C13H9ClN4O3/c14-9-6-8(18(20)21)2-4-10(9)15-7-1-3-11-12(5-7)17-13(19)16-11/h1-6,15H,(H2,16,17,19) | Definition date: | 2017-03-09 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one |
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![87R 87R](https://data.pdbj.org/pdbjplus/data/cc/svg/87R.svg) | 87R | Name: | 6-methyl-N-[(1R)-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C18 H17 F3 N4 O2 | SMILES: | CC[CH](NC(=O)c1cnn2cc(C)cnc12)c3ccc(OC(F)(F)F)cc3 | InChi: | InChI=1S/C18H17F3N4O2/c1-3-15(12-4-6-13(7-5-12)27-18(19,20)21)24-17(26)14-9-23-25-10-11(2)8-22-16(14)25/h4-10,15H,3H2,1-2H3,(H,24,26)/t15-/m1/s1 | Definition date: | 2017-05-11 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 | Identifier: | 6-methyl-~{N}-[(1~{R})-1-[4-(trifluoromethyloxy)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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![89R 89R](https://data.pdbj.org/pdbjplus/data/cc/svg/89R.svg) | 89R | Name: | fluorinated heme | Formula: | C34 H33 F3 Fe N4 O4 | SMILES: | CCc1c(C)c2C=C3N=C(C=C4[N]5[Fe]n2c1C=C6N=C(C=C5C(=C4CCC(O)=O)C)C(=C6C(F)(F)F)CC)C(=C3C)CCC(O)=O | InChi: | InChI=1S/C34H35F3N4O4.Fe/c1-6-19-16(3)23-12-24-17(4)21(8-10-31(42)43)28(39-24)14-29-22(9-11-32(44)45)18(5)25(40-29)13-27-20(7-2)33(34(35,36)37)30(41-27)15-26(19)38-23 | Definition date: | 2017-05-23 | Last modified: | 2017-08-11 | Release date: | 2017-08-16 |
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![LAA LAA](https://data.pdbj.org/pdbjplus/data/cc/svg/LAA.svg) | LAA | Name: | (3R)-3-hydroxy-L-alpha-asparagine | Formula: | C4 H8 N2 O4 | SMILES: | O=C(N)C(N)C(O)C(=O)O | InChi: | InChI=1S/C4H8N2O4/c5-1(3(6)8)2(7)4(9)10/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2+/m0/s1 | Definition date: | 2008-03-26 | Last modified: | 2017-08-09 | Identifier: | (3R)-3-hydroxy-L-alpha-asparagine |
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![9QK 9QK](https://data.pdbj.org/pdbjplus/data/cc/svg/9QK.svg) | 9QK | Name: | 2-(3-fluorophenyl)quinoline-4-carboxylic acid | Formula: | C16 H10 F N O2 | SMILES: | OC(=O)c1cc(nc2ccccc12)c3cccc(F)c3 | InChi: | InChI=1S/C16H10FNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20) | Definition date: | 2017-06-28 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | 2-(3-fluorophenyl)quinoline-4-carboxylic acid |
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![9QT 9QT](https://data.pdbj.org/pdbjplus/data/cc/svg/9QT.svg) | 9QT | Name: | 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid | Formula: | C16 H9 Cl F N O2 | SMILES: | OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3 | InChi: | InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21) | Definition date: | 2017-06-29 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | 2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid |
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![A9Y A9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/A9Y.svg) | A9Y | Name: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one | Formula: | C19 H14 N4 O3 | SMILES: | c1c2c(ccc1)C(OC2=O)c3c(C)nn(c3O)c5nc4ccccc4n5 | InChi: | InChI=1S/C19H14N4O3/c1-10-15(16-11-6-2-3-7-12(11)18(25)26-16)17(24)23(22-10)19-20-13-8-4-5-9-14(13)21-19/h2-9,16,24H,1H3,(H,20,21)/t16-/m1/s1 | Definition date: | 2017-07-13 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (3R)-3-[1-(1H-benzimidazol-2-yl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]-2-benzofuran-1(3H)-one |
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![93Z 93Z](https://data.pdbj.org/pdbjplus/data/cc/svg/93Z.svg) | 93Z | Name: | [(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate | Formula: | C7 H14 O9 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O | InChi: | InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3-,4+,5-,6+,7+/m1/s1 | Definition date: | 2017-04-17 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | [(1~{S},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
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![945 945](https://data.pdbj.org/pdbjplus/data/cc/svg/945.svg) | 945 | Name: | [(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate | Formula: | C7 H14 O9 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O | InChi: | InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1 | Definition date: | 2017-04-17 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | [(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
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![948 948](https://data.pdbj.org/pdbjplus/data/cc/svg/948.svg) | 948 | Name: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol | Formula: | C7 H13 N O4 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3+,4+,5+,6-,7-/m0/s1 | Definition date: | 2017-04-17 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (1~{R},2~{S},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
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![94B 94B](https://data.pdbj.org/pdbjplus/data/cc/svg/94B.svg) | 94B | Name: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol | Formula: | C7 H13 N O4 | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2N[CH]12 | InChi: | InChI=1S/C7H13NO4/c9-1-2-3-4(8-3)6(11)7(12)5(2)10/h2-12H,1H2/t2-,3-,4-,5+,6-,7-/m0/s1 | Definition date: | 2017-04-17 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (1~{S},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol |
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![94E 94E](https://data.pdbj.org/pdbjplus/data/cc/svg/94E.svg) | 94E | Name: | (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol | Formula: | C7 H12 O8 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12 | InChi: | InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6+,7-/m1/s1 | Definition date: | 2017-04-17 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (3~{a}~{R},4~{R},5~{S},6~{R},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol |
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![9FQ 9FQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9FQ.svg) | 9FQ | Name: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol | Formula: | C7 H12 O8 S | SMILES: | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[S](=O)(=O)O[CH]12 | InChi: | InChI=1S/C7H12O8S/c8-1-2-3(9)4(10)5(11)7-6(2)14-16(12,13)15-7/h2-11H,1H2/t2-,3-,4+,5-,6-,7+/m1/s1 | Definition date: | 2017-05-17 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (3~{a}~{S},4~{R},5~{S},6~{R},7~{R},7~{a}~{R})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydrobenzo[d][1,3,2]dioxathiole-4,5,6-triol |
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![O2S O2S](https://data.pdbj.org/pdbjplus/data/cc/svg/O2S.svg) | O2S | Name: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid | Formula: | C8 H16 O2 S | SMILES: | CC(C)C[CH]([CH](C)S)C(O)=O | InChi: | InChI=1S/C8H16O2S/c1-5(2)4-7(6(3)11)8(9)10/h5-7,11H,4H2,1-3H3,(H,9,10)/t6-,7-/m0/s1 | Definition date: | 2017-07-31 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (2~{R})-4-methyl-2-[(1~{S})-1-sulfanylethyl]pentanoic acid |
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![LS8 LS8](https://data.pdbj.org/pdbjplus/data/cc/svg/LS8.svg) | LS8 | Name: | 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide | Formula: | C19 H17 N3 O4 S | SMILES: | COc1cc(ccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)C(=Cc3c2)C)C#N | InChi: | InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3 | Definition date: | 2017-01-26 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | 4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide |
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![69C 69C](https://data.pdbj.org/pdbjplus/data/cc/svg/69C.svg) | 69C | Name: | (6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one | Formula: | C17 H15 N3 O S2 | SMILES: | S(C)c2c4c(c(c1nncc1)s2)CC(c3ccccc3)NC4=O | InChi: | InChI=1S/C17H15N3OS2/c1-22-17-14-11(15(23-17)12-7-8-18-20-12)9-13(19-16(14)21)10-5-3-2-4-6-10/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)/t13-/m1/s1 | Definition date: | 2016-02-19 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | (6R)-3-(methylsulfanyl)-6-phenyl-1-(1H-pyrazol-3-yl)-6,7-dihydrothieno[3,4-c]pyridin-4(5H)-one |
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![MJC MJC](https://data.pdbj.org/pdbjplus/data/cc/svg/MJC.svg) | MJC | Name: | dolichyl phosphate mannose | Formula: | C61 H103 O9 P | SMILES: | C[CH](CCO[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C61H103O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)70-61-60(65)59(64)58(63)57(45-62)69-61/h23,25,27,29,31,33,35,37,39,41,56-65H,13-22,24,26,28,30,32,34,36,38,40,42-45H2,1-12H3,(H,66,67)/b47-25+,48-27?,49-29-,50-31?,51-33+,52-35+,53-37+,54-39-,55-41?/t56-,57-,58-,59+,60+,61+/m1/s1 | Definition date: | 2016-12-08 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | [(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] [(3~{R},14~{E},18~{E},22~{E},30~{Z},34~{E},38~{E})-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-6,10,14,18,22,26,30,34,38,42-decaenyl] hydrogen phosphate |
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![6SF 6SF](https://data.pdbj.org/pdbjplus/data/cc/svg/6SF.svg) | 6SF | Name: | 2-[3,4-bis(chloranyl)phenoxy]ethanamine | Formula: | C8 H9 Cl2 N O | SMILES: | NCCOc1ccc(Cl)c(Cl)c1 | InChi: | InChI=1S/C8H9Cl2NO/c9-7-2-1-6(5-8(7)10)12-4-3-11/h1-2,5H,3-4,11H2 | Definition date: | 2016-06-14 | Last modified: | 2017-08-04 | Release date: | 2017-08-09 | Identifier: | 2-[3,4-bis(chloranyl)phenoxy]ethanamine |
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