![03O 03O](https://data.pdbj.org/pdbjplus/data/cc/svg/03O.svg) | 03O | Name: | 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid | Formula: | C15 H18 N6 O3 | SMILES: | O=C(O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C | InChi: | InChI=1S/C15H18N6O3/c1-21-10(6-17-9-4-2-8(3-5-9)14(23)24)7-18-12-11(21)13(22)20-15(16)19-12/h2-5,10,17H,6-7H2,1H3,(H,23,24)(H4,16,18,19,20,22)/t10-/m0/s1 | Synonyms: | 5-methyl tetrahydropteroic acid | Definition date: | 2011-11-04 | Last modified: | 2023-11-03 | Identifier: | 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid |
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![04X 04X](https://data.pdbj.org/pdbjplus/data/cc/svg/04X.svg) | 04X | Name: | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid | Formula: | C11 H18 N2 O3 | SMILES: | O=C(O)C1NCC(=CC1)CN2CCOCC2 | InChi: | InChI=1S/C11H18N2O3/c14-11(15)10-2-1-9(7-12-10)8-13-3-5-16-6-4-13/h1,10,12H,2-8H2,(H,14,15)/t10-/m0/s1 | Definition date: | 2014-06-19 | Last modified: | 2023-11-03 | Release date: | 2014-07-30 | Identifier: | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid |
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![DI8 DI8](https://data.pdbj.org/pdbjplus/data/cc/svg/DI8.svg) | DI8 | Name: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid | Formula: | C10 H11 N O2 | SMILES: | O=C(O)C2NCc1ccccc1C2 | InChi: | InChI=1S/C10H11NO2/c12-10(13)9-5-7-3-1-2-4-8(7)6-11-9/h1-4,9,11H,5-6H2,(H,12,13)/t9-/m0/s1 | Definition date: | 2014-12-10 | Last modified: | 2023-11-03 | Release date: | 2015-01-14 | Identifier: | (3S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid |
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![DJD DJD](https://data.pdbj.org/pdbjplus/data/cc/svg/DJD.svg) | DJD | Name: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine | Formula: | C12 H13 N5 O2 | SMILES: | NC(Cc1ccc(cc1)c2nnc(C)nn2)C(O)=O | InChi: | InChI=1S/C12H13N5O2/c1-7-14-16-11(17-15-7)9-4-2-8(3-5-9)6-10(13)12(18)19/h2-5,10H,6,13H2,1H3,(H,18,19)/t10-/m0/s1 | Definition date: | 2017-10-26 | Last modified: | 2023-11-03 | Release date: | 2019-10-02 | Identifier: | 4-(6-methyl-1,2,4,5-tetrazin-3-yl)-L-phenylalanine |
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![DM0 DM0](https://data.pdbj.org/pdbjplus/data/cc/svg/DM0.svg) | DM0 | Name: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine | Formula: | C10 H22 N2 O2 | SMILES: | O=C(O)C(N(C)C)CCCCN(C)C | InChi: | InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1 | Definition date: | 2008-03-25 | Last modified: | 2023-11-03 | Identifier: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine |
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![FZN FZN](https://data.pdbj.org/pdbjplus/data/cc/svg/FZN.svg) | FZN | Name: | (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid | Formula: | C23 H37 N7 O15 P2 S | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(SC(=N/CCCCC(C(=O)O)N)C)C(O)C4O | InChi: | InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1 | Definition date: | 2008-06-18 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid (non-preferred name) |
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![2L6 2L6](https://data.pdbj.org/pdbjplus/data/cc/svg/2L6.svg) | 2L6 | Name: | (3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid | Formula: | C12 H16 N2 O3 | SMILES: | O=C(O)C3N2C(=O)C1(NCCC1)C=CC2CC3 | InChi: | InChI=1S/C12H16N2O3/c15-10(16)9-3-2-8-4-6-12(5-1-7-13-12)11(17)14(8)9/h4,6,8-9,13H,1-3,5,7H2,(H,15,16)/t8-,9-,12+/m0/s1 | Definition date: | 2013-11-25 | Last modified: | 2023-11-03 | Release date: | 2014-10-15 | Identifier: | (3S,6R,8aS)-5-oxo-1,2,3,8a-tetrahydrospiro[indolizine-6,2'-pyrrolidine]-3-carboxylic acid |
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![5OH 5OH](https://data.pdbj.org/pdbjplus/data/cc/svg/5OH.svg) | 5OH | Name: | (2S)-amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acid | Formula: | C6 H12 N4 O3 | SMILES: | N[CH]([CH]1C[CH](O)N=C(N)N1)C(O)=O | InChi: | InChI=1S/C6H12N4O3/c7-4(5(12)13)2-1-3(11)10-6(8)9-2/h2-4,11H,1,7H2,(H,12,13)(H3,8,9,10)/t2-,3+,4+/m1/s1 | Definition date: | 2010-02-05 | Last modified: | 2023-11-03 | Identifier: | (2S)-2-azanyl-2-[(4S,6R)-2-azanyl-4-hydroxy-1,4,5,6-tetrahydropyrimidin-6-yl]ethanoic acid |
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![4H0 4H0](https://data.pdbj.org/pdbjplus/data/cc/svg/4H0.svg) | 4H0 | Name: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid | Formula: | C11 H9 F4 N O4 | SMILES: | O=C(O)CC(C(=O)COc1c(F)c(F)cc(F)c1F)N | InChi: | InChI=1S/C11H9F4NO4/c12-4-1-5(13)10(15)11(9(4)14)20-3-7(17)6(16)2-8(18)19/h1,6H,2-3,16H2,(H,18,19)/t6-/m0/s1 | Definition date: | 2012-12-13 | Last modified: | 2023-11-03 | Release date: | 2013-03-20 | Identifier: | (3S)-3-amino-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid |
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![KX0 KX0](https://data.pdbj.org/pdbjplus/data/cc/svg/KX0.svg) | KX0 | Name: | Tinengotinib | Formula: | C20 H19 Cl N6 O | SMILES: | Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5 | InChi: | InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26) | Synonyms: | 4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine | Definition date: | 2022-10-26 | Last modified: | 2023-11-02 | Release date: | 2023-10-25 | Identifier: | 4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine |
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![R5F R5F](https://data.pdbj.org/pdbjplus/data/cc/svg/R5F.svg) | R5F | Name: | Rotigotine | Formula: | C19 H25 N O S | SMILES: | CCCN(CCc1sccc1)[CH]2CCc3c(O)cccc3C2 | InChi: | InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3/t16-/m0/s1 | Synonyms: | (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol | Definition date: | 2023-03-31 | Last modified: | 2023-11-01 | Release date: | 2023-06-07 | Identifier: | (6~{S})-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol |
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![OCW OCW](https://data.pdbj.org/pdbjplus/data/cc/svg/OCW.svg) | OCW | Name: | Tetracenomycin X | Formula: | C24 H22 O11 | SMILES: | COC(=O)c1c(C)c2c(O)c3C(=O)[C]4(OC)C(=O)C=C(OC)[CH](O)[C]4(O)C(=O)c3cc2cc1OC | InChi: | InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1 | Synonyms: | methyl (6aR,7S,10aR)-3,8,10a-trimethoxy-1-methyl-6a,7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7H-tetracene-2-carboxylate | Definition date: | 2020-02-27 | Last modified: | 2023-10-31 | Release date: | 2020-07-01 | Identifier: | methyl (6~{a}~{R},7~{S},10~{a}~{R})-3,8,10~{a}-trimethoxy-1-methyl-6~{a},7,12-tris(oxidanyl)-6,10,11-tris(oxidanylidene)-7~{H}-tetracene-2-carboxylate |
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![WSR WSR](https://data.pdbj.org/pdbjplus/data/cc/svg/WSR.svg) | WSR | Name: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) | Formula: | C25 H41 F O5 S | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O | InChi: | InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) |
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![WU5 WU5](https://data.pdbj.org/pdbjplus/data/cc/svg/WU5.svg) | WU5 | Name: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) | Formula: | C25 H41 F O2 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C | InChi: | InChI=1S/C25H41FO2/c1-16(4-6-19(28)15-26)21-8-9-22-20-7-5-17-14-18(27)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-18,20-23,27H,4-15H2,1-3H3/t16-,17-,18-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (5R)-1-fluoro-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]hexan-2-one (non-preferred name) |
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![WU9 WU9](https://data.pdbj.org/pdbjplus/data/cc/svg/WU9.svg) | WU9 | Name: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) | Formula: | C32 H51 F O4 | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OCCOCCOCC#C | InChi: | InChI=1S/C32H51FO4/c1-5-16-35-17-18-36-19-20-37-26-12-14-31(3)24(21-26)7-9-27-29-11-10-28(23(2)6-8-25(34)22-33)32(29,4)15-13-30(27)31/h1,23-24,26-30H,6-22H2,2-4H3/t23-,24-,26-,27+,28-,29+,30+,31+,32-/m1/s1 | Definition date: | 2022-10-19 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (5R)-5-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-9a,11a-dimethyl-7-(2-{2-[(prop-2-yn-1-yl)oxy]ethoxy}ethoxy)hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-1-fluorohexan-2-one (non-preferred name) |
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![YT9 YT9](https://data.pdbj.org/pdbjplus/data/cc/svg/YT9.svg) | YT9 | Name: | 3-azanyl-3-(hydroxymethyl)-1,5,7,11-tetraoxa-6$l^{4}-boraspiro[5.5]undecan-9-ol | Formula: | C7 H15 B N O6 | SMILES: | OCC1(N)CO[B-]2(OCC(O)CO2)OC1 | InChi: | InChI=1S/C7H15BNO6/c9-7(3-10)4-14-8(15-5-7)12-1-6(11)2-13-8/h6,10-11H,1-5,9H2/q-1/t6-,7-,8-/m0/s1 | Definition date: | 2023-06-20 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | [(2S)-2-amino-2-[(hydroxy-kappaO)methyl]propane-1,3-diolato(2-)-kappaO~1~][(2S)-propane-1,2,3-triolato(2-)-kappa~2~O~1~,O~3~]borate(1-) |
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![YHL YHL](https://data.pdbj.org/pdbjplus/data/cc/svg/YHL.svg) | YHL | Name: | tetrabenazine | Formula: | C19 H27 N O3 | SMILES: | CC(C)CC1CN2CCc3cc(OC)c(OC)cc3C2CC1=O | InChi: | InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1 | Synonyms: | (3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one | Definition date: | 2023-06-17 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (3R,5R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one |
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![QDL QDL](https://data.pdbj.org/pdbjplus/data/cc/svg/QDL.svg) | QDL | Name: | Antheraxanthin | Formula: | C40 H56 O3 | SMILES: | CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)C(C)(C)C[CH](O)C1 | InChi: | InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35+,39-,40+/m1/s1 | Synonyms: | (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol | Definition date: | 2022-10-25 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | (1~{R},3~{S},6~{S})-1,5,5-trimethyl-6-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-7-oxabicyclo[4.1.0]heptan-3-ol |
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![QK9 QK9](https://data.pdbj.org/pdbjplus/data/cc/svg/QK9.svg) | QK9 | Name: | 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene | Formula: | C13 H8 Br F2 N5 | SMILES: | FC(F)c1ncn2c1Cn3ncnc3c4cc(Br)ccc24 | InChi: | InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2 | Definition date: | 2022-11-08 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | 5-[bis(fluoranyl)methyl]-15-bromanyl-2,4,8,9,11-pentazatetracyclo[11.4.0.0^{2,6}.0^{8,12}]heptadeca-1(13),3,5,9,11,14,16-heptaene |
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![QMJ QMJ](https://data.pdbj.org/pdbjplus/data/cc/svg/QMJ.svg) | QMJ | Name: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate | Formula: | C18 H19 N3 O4 | SMILES: | CCOC(=O)c1ncn2c3ccc(OC)cc3C(=O)N4CCC[CH]4c12 | InChi: | InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1 | Definition date: | 2022-11-09 | Last modified: | 2023-10-27 | Release date: | 2023-11-01 | Identifier: | ethyl (7~{S})-15-methoxy-12-oxidanylidene-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate |
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![K16 K16](https://data.pdbj.org/pdbjplus/data/cc/svg/K16.svg) | K16 | Name: | Cephaeline | Formula: | C28 H38 N2 O4 | SMILES: | CC[CH]1CN2CCc3cc(OC)c(OC)cc3[CH]2C[CH]1C[CH]4NCCc5cc(O)c(OC)cc45 | InChi: | InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1 | Synonyms: | (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol | Definition date: | 2023-08-10 | Last modified: | 2023-10-25 | Release date: | 2023-09-13 | Identifier: | (1~{R})-1-[[(2~{S},3~{R},11~{b}~{S})-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11~{b}-hexahydro-1~{H}-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol |
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![VF0 VF0](https://data.pdbj.org/pdbjplus/data/cc/svg/VF0.svg) | VF0 | Name: | (2R)-2-azanyl-3-[oxidanyl-[(2R)-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid | Formula: | C20 H38 N O9 P | SMILES: | CCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C20H38NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-19(23)28-14-17(22)15-29-31(26,27)30-16-18(21)20(24)25/h5-6,17-18,22H,2-4,7-16,21H2,1H3,(H,24,25)(H,26,27)/t17-,18-/m1/s1 | Definition date: | 2023-07-21 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{R})-2-azanyl-3-[oxidanyl-[(2~{R})-2-oxidanyl-3-tetradec-9-enoyloxy-propoxy]phosphoryl]oxy-propanoic acid |
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![WEB WEB](https://data.pdbj.org/pdbjplus/data/cc/svg/WEB.svg) | WEB | Name: | alpha-D-psicopyranose | Formula: | C6 H12 O6 | SMILES: | OC[C]1(O)OC[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m1/s1 | Synonyms: | (2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol | Definition date: | 2023-10-02 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (2~{S},3~{R},4~{R},5~{R})-2-(hydroxymethyl)oxane-2,3,4,5-tetrol |
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![WME WME](https://data.pdbj.org/pdbjplus/data/cc/svg/WME.svg) | WME | Name: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid | Formula: | C53 H51 Cl2 F N6 O9 S | SMILES: | CN1CCN(CC1)CC1Oc2c(Cl)c(C)c(c3c4c(ncnc4sc3c3ccc(F)cc3)OC(Cc3cc(OC1)ccc3OCc1ccnc(n1)c1ccc(OCC3COCCO3)cc1)C(=O)O)c(C)c2Cl | InChi: | InChI=1S/C53H51Cl2FN6O9S/c1-30-43-31(2)47(55)48(46(30)54)70-39(24-62-18-16-61(3)17-19-62)27-68-38-12-13-41(69-25-36-14-15-57-50(60-36)33-6-10-37(11-7-33)67-28-40-26-65-20-21-66-40)34(22-38)23-42(53(63)64)71-51-45-44(43)49(72-52(45)59-29-58-51)32-4-8-35(56)9-5-32/h4-15,22,29,39-40,42H,16-21,23-28H2,1-3H3,(H,63,64)/t39-,40-,42-/m1/s1 | Definition date: | 2022-09-29 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | (7R,16R)-19,23-dichloro-10-{[2-(4-{[(2R)-1,4-dioxan-2-yl]methoxy}phenyl)pyrimidin-4-yl]methoxy}-1-(4-fluorophenyl)-20,22-dimethyl-16-[(4-methylpiperazin-1-yl)methyl]-7,8,15,16-tetrahydro-18,21-etheno-13,9-(metheno)-6,14,17-trioxa-2-thia-3,5-diazacyclononadeca[1,2,3-cd]indene-7-carboxylic acid |
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![MFF MFF](https://data.pdbj.org/pdbjplus/data/cc/svg/MFF.svg) | MFF | Name: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate | Formula: | C29 H48 N2 O5 | SMILES: | COC(=O)C[CH](N)C[CH](O)C=CC(C)=C[CH](C)CC(C)=CC=C[CH](N)[CH]1C[CH](O)[CH](C)[CH](O1)C=CC | InChi: | InChI=1S/C29H48N2O5/c1-7-9-27-22(5)26(33)18-28(36-27)25(31)11-8-10-19(2)14-21(4)15-20(3)12-13-24(32)16-23(30)17-29(34)35-6/h7-13,15,21-28,32-33H,14,16-18,30-31H2,1-6H3/b9-7+,11-8+,13-12+,19-10+,20-15-/t21-,22+,23+,24+,25+,26-,27+,28+/m1/s1 | Definition date: | 2022-12-23 | Last modified: | 2023-10-20 | Release date: | 2023-10-25 | Identifier: | methyl (3~{S},5~{R},6~{E},8~{Z},10~{R},12~{E},14~{E},16~{S})-3,16-bis(azanyl)-8,10,12-trimethyl-16-[(2~{S},4~{R},5~{S},6~{S})-5-methyl-4-oxidanyl-6-[(~{E})-prop-1-enyl]oxan-2-yl]-5-oxidanyl-hexadeca-6,8,12,14-tetraenoate |
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