![XT1 XT1](https://data.pdbj.org/pdbjplus/data/cc/svg/XT1.svg) | XT1 | Name: | (2R)-3-[(2S,5R,6R,8S)-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid | Formula: | C45 H70 O13 | SMILES: | O=C(O)C(O)(C)CC7OC1(OC(CC(=C1)C)C(/C=C/C6OC2(OC3C(O)C(=C)C(OC3CC2)C(O)CC(C)C5OC4(OCCCC4C)CCC5C)CC6)C)C(O)CC7 | InChi: | InChI=1S/C45H70O13/c1-25-21-35(56-45(23-25)36(47)13-12-32(55-45)24-42(7,51)41(49)50)26(2)10-11-31-15-17-43(54-31)18-16-34-40(57-43)37(48)30(6)39(53-34)33(46)22-28(4)38-27(3)14-19-44(58-38)29(5)9-8-20-52-44/h10-11,23,26-29,31-40,46-48,51H,6,8-9,12-22,24H2,1-5,7H3,(H,49,50)/b11-10+/t26-,27-,28+,29-,31+,32+,33+,34-,35+,36-,37-,38+,39+,40-,42-,43-,44-,45-/m1/s1 | Synonyms: | DINOPHYSISTOXIN-1 | Definition date: | 2009-10-22 | Last modified: | 2021-03-01 | Identifier: | (2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4a'R,5R,6'S,8'R,8a'S)-6'-{(1S,3S)-3-[(2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undec-2-yl]-1-hydroxybutyl}-8'-hydroxy-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid |
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![SMZ SMZ](https://data.pdbj.org/pdbjplus/data/cc/svg/SMZ.svg) | SMZ | Name: | N~5~-[(E)-imino(methylsulfanyl)methyl]-L-ornithine | Formula: | C7 H15 N3 O2 S | SMILES: | O=C(O)C(N)CCCNC(=[N@H])SC | InChi: | InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1 | Synonyms: | S-methyl-L-thiocitrulline | Definition date: | 2008-01-15 | Last modified: | 2021-03-01 | Identifier: | N~5~-[(Z)-imino(methylsulfanyl)methyl]-L-ornithine |
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![T22 T22](https://data.pdbj.org/pdbjplus/data/cc/svg/T22.svg) | T22 | Name: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile | Formula: | C18 H21 N5 O2 | SMILES: | N#Cc1ccccc1CN2C(=O)N(C(=O)C=C2N3CCCC(N)C3)C | InChi: | InChI=1S/C18H21N5O2/c1-21-17(24)9-16(22-8-4-7-15(20)12-22)23(18(21)25)11-14-6-3-2-5-13(14)10-19/h2-3,5-6,9,15H,4,7-8,11-12,20H2,1H3/t15-/m1/s1 | Synonyms: | Alogliptin | Definition date: | 2009-02-03 | Last modified: | 2021-03-01 | Identifier: | 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile |
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![REK REK](https://data.pdbj.org/pdbjplus/data/cc/svg/REK.svg) | REK | Name: | D-Aspartate Tenofovir | Formula: | C13 H19 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CC(O)=O)C(O)=O | InChi: | InChI=1S/C13H19N6O7P/c1-7(3-19-5-17-10-11(14)15-4-16-12(10)19)26-6-27(24,25)18-8(13(22)23)2-9(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,23)(H2,14,15,16)(H2,18,24,25)/t7-,8-/m1/s1 | Synonyms: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid | Definition date: | 2020-09-28 | Last modified: | 2021-03-01 | Release date: | 2021-01-13 | Identifier: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid |
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![REM REM](https://data.pdbj.org/pdbjplus/data/cc/svg/REM.svg) | REM | Name: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide | Formula: | C33 H50 N4 O6 S | SMILES: | O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4 | InChi: | InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1 | Synonyms: | remikiren | Definition date: | 2008-05-27 | Last modified: | 2021-03-01 | Identifier: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide |
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![XT8 XT8](https://data.pdbj.org/pdbjplus/data/cc/svg/XT8.svg) | XT8 | Name: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C15 H18 N2 O6 S2 | SMILES: | C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C | InChi: | InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1 | Synonyms: | ticarcillin | Definition date: | 2019-10-15 | Last modified: | 2021-03-01 | Release date: | 2019-10-30 | Identifier: | (2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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![SN6 SN6](https://data.pdbj.org/pdbjplus/data/cc/svg/SN6.svg) | SN6 | Name: | 1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUM | Formula: | C29 H27 N5 O | SMILES: | O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3)Nc5c4c(cccc4)[n+](cc5)C | InChi: | InChI=1S/C29H25N5O/c1-33-18-15-25(16-19-33)30-22-11-13-24(14-12-22)32-29(35)21-7-9-23(10-8-21)31-27-17-20-34(2)28-6-4-3-5-26(27)28/h3-20H,1-2H3,(H,32,35)/p+2 | Synonyms: | SN6999 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 1-methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium |
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![SN7 SN7](https://data.pdbj.org/pdbjplus/data/cc/svg/SN7.svg) | SN7 | Name: | 4-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-N-METHYLPYRIDINIUM MESYLATE | Formula: | C29 H29 N7 O | SMILES: | O=C(Nc2ccc(Nc1cc[n+](cc1)C)cc2)c3ccc(cc3N)Nc5c4c(ccc(c4)N)[n+](cc5)C | InChi: | InChI=1S/C29H27N7O/c1-35-14-11-22(12-15-35)32-20-4-6-21(7-5-20)34-29(37)24-9-8-23(18-26(24)31)33-27-13-16-36(2)28-10-3-19(30)17-25(27)28/h3-18H,30H2,1-2H3,(H3,31,34,37)/p+2 | Synonyms: | SN7167 | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | 6-amino-4-{[3-amino-4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}-1-methylquinolinium |
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![SN8 SN8](https://data.pdbj.org/pdbjplus/data/cc/svg/SN8.svg) | SN8 | Name: | 1,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | Formula: | C30 H47 N5 O | SMILES: | O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cc(ccc3N(C)CC=4)C)CC5 | InChi: | InChI=1S/C30H47N5O/c1-21-4-13-29-27(20-21)28(16-19-35(29)3)32-24-7-5-22(6-8-24)30(36)33-25-11-9-23(10-12-25)31-26-14-17-34(2)18-15-26/h4,13,16,20,22-26,31-32H,5-12,14-15,17-19H2,1-3H3,(H,33,36)/t22?,23-,24?,25+ | Synonyms: | SN8315 | Definition date: | 2005-05-20 | Last modified: | 2021-03-01 | Identifier: | trans-4-[(1,6-dimethyl-1,2-dihydroquinolin-4-yl)amino]-N-{cis-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide |
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![XTC XTC](https://data.pdbj.org/pdbjplus/data/cc/svg/XTC.svg) | XTC | Name: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | Formula: | C21 H21 N3 O9 | SMILES: | [O-][N+](=O)c2c(O)c3C(=O)C1=C(O)C4(O)C(=O)C(=C(O)C(N(C)C)C4CC1Cc3cc2)C(=O)N | InChi: | InChI=1S/C21H21N3O9/c1-23(2)14-9-6-8-5-7-3-4-10(24(32)33)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-4,8-9,14,25,27-28,31H,5-6H2,1-2H3,(H2,22,30)/t8-,9-,14-,21-/m0/s1 | Synonyms: | 9-NITROTETRACYCLINE | Definition date: | 2012-05-22 | Last modified: | 2021-03-01 | Identifier: | (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
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![ZD6 ZD6](https://data.pdbj.org/pdbjplus/data/cc/svg/ZD6.svg) | ZD6 | Name: | Vandetanib | Formula: | C22 H24 Br F N4 O2 | SMILES: | COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4 | InChi: | InChI=1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27) | Synonyms: | ZD6474 | Definition date: | 2006-06-16 | Last modified: | 2021-03-01 | Identifier: | ~{N}-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine |
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![XTG XTG](https://data.pdbj.org/pdbjplus/data/cc/svg/XTG.svg) | XTG | Name: | 4-NITROPHENYL 6-THIO-6-S-ALPHA-D-XYLOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | Formula: | C17 H23 N O11 S | SMILES: | [O-][N+](=O)c3ccc(OC2OC(CSC1OCC(O)C(O)C1O)C(O)C(O)C2O)cc3 | InChi: | InChI=1S/C17H23NO11S/c19-9-5-27-17(15(24)11(9)20)30-6-10-12(21)13(22)14(23)16(29-10)28-8-3-1-7(2-4-8)18(25)26/h1-4,9-17,19-24H,5-6H2/t9-,10-,11+,12-,13+,14-,15-,16-,17-/m1/s1 | Synonyms: | 4-NITROPHENYL-(6-S-ALPHA-D-XYLOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE | Definition date: | 2005-11-17 | Last modified: | 2021-03-01 | Identifier: | 4-nitrophenyl 6-thio-6-S-alpha-D-xylopyranosyl-beta-D-glucopyranoside |
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![UND UND](https://data.pdbj.org/pdbjplus/data/cc/svg/UND.svg) | UND | Name: | UNDECANE | Formula: | C11 H24 | SMILES: | C(CCCCCCCC)CC | InChi: | InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3 | Synonyms: | LIPID FRAGMENT | Definition date: | 1999-09-17 | Last modified: | 2021-03-01 | Identifier: | undecane |
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![R14 R14](https://data.pdbj.org/pdbjplus/data/cc/svg/R14.svg) | R14 | Name: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] | Formula: | C43 H47 N11 O2 | SMILES: | O=C(Nc1cccc(c1)c2nnn(c2)c7cc6nc3c(ccc(c3)n4nnc(c4)c5cccc(NC(=O)CCN(CC)CC)c5)cc6cc7)CCN(CC)CC | InChi: | InChI=1S/C43H47N11O2/c1-5-51(6-2)21-19-42(55)44-34-13-9-11-30(24-34)40-28-53(49-47-40)36-17-15-32-23-33-16-18-37(27-39(33)46-38(32)26-36)54-29-41(48-50-54)31-12-10-14-35(25-31)45-43(56)20-22-52(7-3)8-4/h9-18,23-29H,5-8,19-22H2,1-4H3,(H,44,55)(H,45,56) | Synonyms: | triazole-acridine conjugate | Definition date: | 2010-04-19 | Last modified: | 2021-03-01 | Identifier: | N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide] |
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![SNI SNI](https://data.pdbj.org/pdbjplus/data/cc/svg/SNI.svg) | SNI | Name: | 9-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-1,9-DIHYDRO-PURINE-6-THIONE | Formula: | C10 H12 N4 O4 Se | SMILES: | [Se]=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)CO | InChi: | InChI=1S/C10H12N4O4Se/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m1/s1 | Synonyms: | SELENOINOSINE | Definition date: | 2004-02-25 | Last modified: | 2021-03-01 | Identifier: | 9-beta-D-ribofuranosyl-1,9-dihydro-6H-purine-6-selone |
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![YAS YAS](https://data.pdbj.org/pdbjplus/data/cc/svg/YAS.svg) | YAS | Name: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate | Formula: | C25 H42 N7 O17 P3 S | SMILES: | CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)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/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20-,24+/m0/s1 | Synonyms: | Butyryl-CoA | Definition date: | 2018-12-06 | Last modified: | 2021-03-01 | Release date: | 2020-03-18 | Identifier: | ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate |
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![SNO SNO](https://data.pdbj.org/pdbjplus/data/cc/svg/SNO.svg) | SNO | Name: | (S)-PARA-NITROSTYRENE OXIDE | Formula: | C8 H7 N O3 | SMILES: | [O-][N+](=O)c1ccc(cc1)C2OC2 | InChi: | InChI=1S/C8H7NO3/c10-9(11)7-3-1-6(2-4-7)8-5-12-8/h1-4,8H,5H2/t8-/m1/s1 | Synonyms: | (2S)-2-(4-NITROPHENYL)OXIRANE | Definition date: | 2005-05-20 | Last modified: | 2021-03-01 | Identifier: | (2S)-2-(4-nitrophenyl)oxirane |
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![SNP SNP](https://data.pdbj.org/pdbjplus/data/cc/svg/SNP.svg) | SNP | Name: | 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL | Formula: | C16 H21 N O2 | SMILES: | OC(CNC(C)C)COc2cccc1ccccc12 | InChi: | InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1 | Synonyms: | S-PROPRANOLOL | Definition date: | 2000-01-26 | Last modified: | 2021-03-01 | Identifier: | (2S)-1-[(1-methylethyl)amino]-3-(naphthalen-1-yloxy)propan-2-ol |
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![XCA XCA](https://data.pdbj.org/pdbjplus/data/cc/svg/XCA.svg) | XCA | Name: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid | Formula: | C27 H42 O3 | SMILES: | O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C | InChi: | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1 | Synonyms: | (25S)-cholestenoic acid | Definition date: | 2011-11-18 | Last modified: | 2021-03-01 | Identifier: | (8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid |
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![S91 S91](https://data.pdbj.org/pdbjplus/data/cc/svg/S91.svg) | S91 | Name: | [4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID | Formula: | C20 H19 N5 O3 | SMILES: | O=C(O)Cc1ccc(cc1)Nc2nc(c(cn2)C(=O)N)Nc3cc(ccc3)C | InChi: | InChI=1S/C20H19N5O3/c1-12-3-2-4-15(9-12)23-19-16(18(21)28)11-22-20(25-19)24-14-7-5-13(6-8-14)10-17(26)27/h2-9,11H,10H2,1H3,(H2,21,28)(H,26,27)(H2,22,23,24,25) | Synonyms: | (4-{[5-CARBAMOYL-4-(3-METHYLANILINO)PYRIMIDIN-2-YL]AMINO}PHENYL)ACETIC ACID | Definition date: | 2005-03-22 | Last modified: | 2021-03-01 | Identifier: | [4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid |
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![RFE RFE](https://data.pdbj.org/pdbjplus/data/cc/svg/RFE.svg) | RFE | Name: | L-Methionine Tenofovir | Formula: | C14 H23 N6 O5 P S | SMILES: | CSCC[CH](N[P](O)(=O)CO[CH](C)Cn1cnc2c(N)ncnc12)C(O)=O | InChi: | InChI=1S/C14H23N6O5PS/c1-9(5-20-7-18-11-12(15)16-6-17-13(11)20)25-8-26(23,24)19-10(14(21)22)3-4-27-2/h6-7,9-10H,3-5,8H2,1-2H3,(H,21,22)(H2,15,16,17)(H2,19,23,24)/t9-,10+/m1/s1 | Synonyms: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid | Definition date: | 2020-09-28 | Last modified: | 2021-03-01 | Release date: | 2021-01-13 | Identifier: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]-4-methylsulfanyl-butanoic acid |
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![ZEA ZEA](https://data.pdbj.org/pdbjplus/data/cc/svg/ZEA.svg) | ZEA | Name: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol | Formula: | C10 H13 N5 O | SMILES: | n2c1c(ncn1)c(nc2)NCC=C(/C)CO | InChi: | InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+ | Synonyms: | TRANS-ZEATIN | Definition date: | 2004-06-23 | Last modified: | 2021-03-01 | Identifier: | (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol |
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![SNY SNY](https://data.pdbj.org/pdbjplus/data/cc/svg/SNY.svg) | SNY | Name: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal | Formula: | C11 H12 O4 | SMILES: | O=CC=Cc1cc(OC)c(O)c(OC)c1 | InChi: | InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+ | Synonyms: | Sinapaldehyde | Definition date: | 2010-10-25 | Last modified: | 2021-03-01 | Identifier: | (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal |
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![5L9 5L9](https://data.pdbj.org/pdbjplus/data/cc/svg/5L9.svg) | 5L9 | Name: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol | Formula: | C14 H15 Cl2 N3 O | SMILES: | O[C](Cn1cncn1)(Cc2ccccc2Cl)C3(Cl)CC3 | InChi: | InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2/t14-/m0/s1 | Synonyms: | S-desthio-prothioconazole | Definition date: | 2015-10-19 | Last modified: | 2021-03-01 | Release date: | 2016-02-10 | Identifier: | (2~{S})-2-(1-chloranylcyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol |
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![SO1 SO1](https://data.pdbj.org/pdbjplus/data/cc/svg/SO1.svg) | SO1 | Name: | [1R-(1.ALPHA.,3A.BETA.,4.BETA.,4A.BETA.,7.BETA.,7A.ALPHA.,8A.BETA.)]8A-[(6-DEOXY-4-O-METHYL-BETA-D-ALTROPYRANOSYLOXY)METHYL]-4-FORMYL-4,4A,5,6,7,7A,8,8A-OCTAHYDRO-7-METHYL-3-(1-METHYLETHYL)-1,4-METHANO-S-INDACENE-3A(1H)-CARBOXYLIC ACID | Formula: | C27 H42 O8 | SMILES: | O=C(O)C53C4(COC1OC(C(OC)C(O)C1O)C)CC2C(C)CCC2C3(C=O)CC4CC5C(C)C | InChi: | InChI=1S/C27H42O8/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23/h11,13-23,29-30H,6-10,12H2,1-5H3,(H,31,32)/t14-,15-,16+,17-,18-,19?,20+,21+,22-,23-,25+,26+,27+/m1/s1 | Synonyms: | SORDARIN | Definition date: | 2003-01-20 | Last modified: | 2021-03-01 | Identifier: | (1S,3R,3aR,4S,4aR,7R,7aR,8aS)-8a-{[(6-deoxy-4-O-methyl-beta-D-altropyranosyl)oxy]methyl}-4-formyl-7-methyl-3-(1-methylethyl)decahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid |
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