![A1H9R A1H9R](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9R.svg) | A1H9R | Name: | ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide | Formula: | C11 H17 N3 O | SMILES: | Cn1cc(C(=O)NCC2CCC2)c(C)n1 | InChi: | InChI=1S/C11H17N3O/c1-8-10(7-14(2)13-8)11(15)12-6-9-4-3-5-9/h7,9H,3-6H2,1-2H3,(H,12,15) | Definition date: | 2024-04-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | ~{N}-(cyclobutylmethyl)-1,3-dimethyl-pyrazole-4-carboxamide |
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![A1H9U A1H9U](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9U.svg) | A1H9U | Name: | ~{N}-(3-azanyl-2-methyl-phenyl)propanamide | Formula: | C10 H14 N2 O | SMILES: | CCC(=O)Nc1cccc(N)c1C | InChi: | InChI=1S/C10H14N2O/c1-3-10(13)12-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H,12,13) | Synonyms: | N-(3-amino-2-methylphenyl)propanamide | Definition date: | 2024-04-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | ~{N}-(3-azanyl-2-methyl-phenyl)propanamide |
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![A1H9V A1H9V](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9V.svg) | A1H9V | Name: | ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide | Formula: | C5 H9 N3 O2 S | SMILES: | CN(C)[S](=O)(=O)c1c[nH]nc1 | InChi: | InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7) | Synonyms: | N,N-dimethyl-1H-pyrazole-4-sulfonamide | Definition date: | 2024-04-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | ~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide |
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![A1H9W A1H9W](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9W.svg) | A1H9W | Name: | [4-(methylamino)oxan-4-yl]methanol | Formula: | C7 H15 N O2 | SMILES: | CNC1(CO)CCOCC1 | InChi: | InChI=1S/C7H15NO2/c1-8-7(6-9)2-4-10-5-3-7/h8-9H,2-6H2,1H3 | Definition date: | 2024-04-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | [4-(methylamino)oxan-4-yl]methanol |
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![A1H9X A1H9X](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H9X.svg) | A1H9X | Name: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione | Formula: | C11 H11 N3 O2 | SMILES: | O=C1NC=C(NCc2ccccc2)C(=O)N1 | InChi: | InChI=1S/C11H11N3O2/c15-10-9(7-13-11(16)14-10)12-6-8-4-2-1-3-5-8/h1-5,7,12H,6H2,(H2,13,14,15,16) | Synonyms: | 5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione | Definition date: | 2024-04-29 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-[(phenylmethyl)amino]-1~{H}-pyrimidine-2,4-dione |
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![HWF HWF](https://data.pdbj.org/pdbjplus/data/cc/svg/HWF.svg) | HWF | Name: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid | Formula: | C13 H17 N O2 | SMILES: | O=C(O)C(Cc1ccccc1)C1CCNC1 | InChi: | InChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1 | Synonyms: | LY3353871 | Definition date: | 2023-07-22 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid |
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![VE6 VE6](https://data.pdbj.org/pdbjplus/data/cc/svg/VE6.svg) | VE6 | Name: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C16 H10 Br N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(Br)ccc23 | InChi: | InChI=1S/C16H10BrNO4/c17-9-1-6-14-12(7-9)13(15(20)16(21)22)8-18(14)10-2-4-11(19)5-3-10/h1-8,19H,(H,21,22) | Synonyms: | 2-(5-bromo-1-(4-hydroxyphenyl)-1H-indol-3-yl)-2-oxoacetic acid | Definition date: | 2021-05-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[5-bromanyl-1-(4-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![VEO VEO](https://data.pdbj.org/pdbjplus/data/cc/svg/VEO.svg) | VEO | Name: | 5-methoxy-1H-indole-2-carboxylic acid | Formula: | C10 H9 N O3 | SMILES: | COc1ccc2[nH]c(cc2c1)C(O)=O | InChi: | InChI=1S/C10H9NO3/c1-14-7-2-3-8-6(4-7)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13) | Definition date: | 2023-03-03 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 5-methoxy-1~{H}-indole-2-carboxylic acid |
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![JEI JEI](https://data.pdbj.org/pdbjplus/data/cc/svg/JEI.svg) | JEI | Name: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid | Formula: | C15 H24 N6 O9 P2 | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1COCCP(=O)(O)O)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C15H24N6O9P2/c16-15-18-13-12(14(23)19-15)17-8-21(13)9-5-10(7-30-2-4-32(27,28)29)20(6-9)11(22)1-3-31(24,25)26/h8-10H,1-7H2,(H2,24,25,26)(H2,27,28,29)(H3,16,18,19,23)/t9-,10+/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (3-{(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-[(2-phosphonoethoxy)methyl]pyrrolidin-1-yl}-3-oxopropyl)phosphonic acid |
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![JG6 JG6](https://data.pdbj.org/pdbjplus/data/cc/svg/JG6.svg) | JG6 | Name: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid | Formula: | C13 H19 N6 O6 P | SMILES: | O=C(CCP(=O)(O)O)N1CC(CC1CO)n1cnc2c1N=C(N)NC2=O | InChi: | InChI=1S/C13H19N6O6P/c14-13-16-11-10(12(22)17-13)15-6-19(11)7-3-8(5-20)18(4-7)9(21)1-2-26(23,24)25/h6-8,20H,1-5H2,(H2,23,24,25)(H3,14,16,17,22)/t7-,8+/m1/s1 | Definition date: | 2023-08-07 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | {3-[(2S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl}phosphonic acid |
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![VPN VPN](https://data.pdbj.org/pdbjplus/data/cc/svg/VPN.svg) | VPN | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H83 Br4 O13 P | SMILES: | OP(=O)(OC1C(O)C(O)C(O)C(O)C1O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC | InChi: | InChI=1S/C45H83Br4O13P/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)59-31-33(32-60-63(57,58)62-45-43(55)41(53)40(52)42(54)44(45)56)61-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2/h33-37,40-45,52-56H,3-32H2,1-2H3,(H,57,58)/t33-,34-,35?,36+,37?,40-,41-,42+,43+,44+,45-/m0/s1 | Definition date: | 2023-09-15 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![W4X W4X](https://data.pdbj.org/pdbjplus/data/cc/svg/W4X.svg) | W4X | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O5 | SMILES: | OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4 | InChi: | InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W52 W52](https://data.pdbj.org/pdbjplus/data/cc/svg/W52.svg) | W52 | Name: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O4 | SMILES: | Oc1ccc(cc1)n2cc(C(=O)C(O)=O)c3cc(ccc23)c4ccccc4 | InChi: | InChI=1S/C22H15NO4/c24-17-9-7-16(8-10-17)23-13-19(21(25)22(26)27)18-12-15(6-11-20(18)23)14-4-2-1-3-5-14/h1-13,24H,(H,26,27) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-(4-hydroxyphenyl)-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![W5E W5E](https://data.pdbj.org/pdbjplus/data/cc/svg/W5E.svg) | W5E | Name: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid | Formula: | C22 H15 N O6 | SMILES: | Oc1cccc(c1)c2ccc3n(cc(C(=O)C(O)=O)c3c2)c4ccc(O)c(O)c4 | InChi: | InChI=1S/C22H15NO6/c24-15-3-1-2-12(8-15)13-4-6-18-16(9-13)17(21(27)22(28)29)11-23(18)14-5-7-19(25)20(26)10-14/h1-11,24-26H,(H,28,29) | Definition date: | 2023-04-28 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[1-[3,4-bis(oxidanyl)phenyl]-5-(3-hydroxyphenyl)indol-3-yl]-2-oxidanylidene-ethanoic acid |
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![WCW WCW](https://data.pdbj.org/pdbjplus/data/cc/svg/WCW.svg) | WCW | Name: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid | Formula: | C12 H16 N2 O2 | SMILES: | NC1(CCN(CC1)c2ccccc2)C(O)=O | InChi: | InChI=1S/C12H16N2O2/c13-12(11(15)16)6-8-14(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9,13H2,(H,15,16) | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-azanyl-1-phenyl-piperidine-4-carboxylic acid |
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![WD2 WD2](https://data.pdbj.org/pdbjplus/data/cc/svg/WD2.svg) | WD2 | Name: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine | Formula: | C10 H12 F3 N3 | SMILES: | FC(F)(F)c1ccnc(c1)N2CCNCC2 | InChi: | InChI=1S/C10H12F3N3/c11-10(12,13)8-1-2-15-9(7-8)16-5-3-14-4-6-16/h1-2,7,14H,3-6H2 | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 1-[4-(trifluoromethyl)pyridin-2-yl]piperazine |
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![WD5 WD5](https://data.pdbj.org/pdbjplus/data/cc/svg/WD5.svg) | WD5 | Name: | 4-(4-chlorophenyl)piperidin-4-ol | Formula: | C11 H14 Cl N O | SMILES: | OC1(CCNCC1)c2ccc(Cl)cc2 | InChi: | InChI=1S/C11H14ClNO/c12-10-3-1-9(2-4-10)11(14)5-7-13-8-6-11/h1-4,13-14H,5-8H2 | Definition date: | 2023-05-12 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 4-(4-chlorophenyl)piperidin-4-ol |
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![V5H V5H](https://data.pdbj.org/pdbjplus/data/cc/svg/V5H.svg) | V5H | Name: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate | Formula: | C45 H85 Br4 O19 P3 | SMILES: | OP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)OCC(COC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)OC(=O)CCCCCCCC(Br)C(Br)CCCCCCCC)C(O)C1OP(=O)(O)O | InChi: | InChI=1S/C45H85Br4O19P3/c1-3-5-7-9-13-19-25-34(46)36(48)27-21-15-11-17-23-29-38(50)63-31-33(65-39(51)30-24-18-12-16-22-28-37(49)35(47)26-20-14-10-8-6-4-2)32-64-71(61,62)68-43-40(52)41(53)44(66-69(55,56)57)45(42(43)54)67-70(58,59)60/h33-37,40-45,52-54H,3-32H2,1-2H3,(H,61,62)(H2,55,56,57)(H2,58,59,60)/t33-,34-,35?,36+,37?,40+,41-,42-,43+,44+,45+/m0/s1 | Definition date: | 2023-09-08 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (2S)-2-[(9,10-dibromooctadecanoyl)oxy]-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propyl (9R,10S)-9,10-dibromooctadecanoate |
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![IJM IJM](https://data.pdbj.org/pdbjplus/data/cc/svg/IJM.svg) | IJM | Name: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid | Formula: | C14 H8 F3 N5 O4 | SMILES: | O=C(O)C=1NC(=CC(=O)C=1O)c1ccc(cc1C(F)(F)F)c1nnn[NH]1 | InChi: | InChI=1S/C14H8F3N5O4/c15-14(16,17)7-3-5(12-19-21-22-20-12)1-2-6(7)8-4-9(23)11(24)10(18-8)13(25)26/h1-4,24H,(H,18,23)(H,25,26)(H,19,20,21,22) | Definition date: | 2023-08-01 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | (6M)-3-hydroxy-4-oxo-6-[(4M)-4-(1H-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-2-carboxylic acid |
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![WNO WNO](https://data.pdbj.org/pdbjplus/data/cc/svg/WNO.svg) | WNO | Name: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine | Formula: | C15 H18 N4 | SMILES: | CCN1CCN[CH]1c2cccc(n2)c3ccccn3 | InChi: | InChI=1S/C15H18N4/c1-2-19-11-10-17-15(19)14-8-5-7-13(18-14)12-6-3-4-9-16-12/h3-9,15,17H,2,10-11H2,1H3/t15-/m1/s1 | Definition date: | 2023-10-09 | Last modified: | 2024-05-03 | Release date: | 2024-05-08 | Identifier: | 2-[(2~{R})-1-ethylimidazolidin-2-yl]-6-pyridin-2-yl-pyridine |
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![YOP YOP](https://data.pdbj.org/pdbjplus/data/cc/svg/YOP.svg) | YOP | Name: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(5H)-one | Formula: | C8 H12 N2 O2 | SMILES: | O=C1NC=CC=C1CC(N)CO | InChi: | InChI=1S/C8H12N2O2/c9-7(5-11)4-6-2-1-3-10-8(6)12/h1-3,7,11H,4-5,9H2,(H,10,12)/t7-/m0/s1 | Definition date: | 2021-03-17 | Last modified: | 2024-04-30 | Release date: | 2021-08-25 | Identifier: | 3-[(2S)-2-amino-3-hydroxypropyl]pyridin-2(1H)-one |
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![9R4 9R4](https://data.pdbj.org/pdbjplus/data/cc/svg/9R4.svg) | 9R4 | Name: | D-gamma-glutamyl-2-methyl-L-alanine | Formula: | C9 H16 N2 O5 | SMILES: | NC(CCC(NC(C)(C(O)=O)C)=O)C(O)=O | InChi: | InChI=1S/C9H16N2O5/c1-9(2,8(15)16)11-6(12)4-3-5(10)7(13)14/h5H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t5-/m1/s1 | Definition date: | 2017-06-01 | Last modified: | 2024-04-30 | Release date: | 2017-11-15 | Identifier: | D-gamma-glutamyl-2-methyl-L-alanine |
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![R5P R5P](https://data.pdbj.org/pdbjplus/data/cc/svg/R5P.svg) | R5P | Name: | RIBOSE-5-PHOSPHATE | Formula: | C5 H11 O8 P | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | Definition date: | 2001-06-19 | Last modified: | 2024-04-30 | Identifier: | 5-O-phosphono-D-ribose |
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![1CC 1CC](https://data.pdbj.org/pdbjplus/data/cc/svg/1CC.svg) | 1CC | Name: | 5-carboxy-2'-deoxycytidine monophosphate | Formula: | C10 H14 N3 O9 P | SMILES: | O=C(O)C=1C(=NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O)N | InChi: | InChI=1S/C10H14N3O9P/c11-8-4(9(15)16)2-13(10(17)12-8)7-1-5(14)6(22-7)3-21-23(18,19)20/h2,5-7,14H,1,3H2,(H,15,16)(H2,11,12,17)(H2,18,19,20)/t5-,6+,7+/m0/s1 | Definition date: | 2011-11-17 | Last modified: | 2024-04-29 | Identifier: | 5-carboxy-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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![ZJT ZJT](https://data.pdbj.org/pdbjplus/data/cc/svg/ZJT.svg) | ZJT | Name: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid | Formula: | C13 H9 F O2 S | SMILES: | O=C(O)c1cc2CCc3cc(F)ccc3c2s1 | InChi: | InChI=1S/C13H9FO2S/c14-9-3-4-10-7(5-9)1-2-8-6-11(13(15)16)17-12(8)10/h3-6H,1-2H2,(H,15,16) | Definition date: | 2023-06-27 | Last modified: | 2024-04-26 | Release date: | 2024-05-01 | Identifier: | (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid |
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