![A1ALE A1ALE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ALE.svg) | A1ALE | 表記: | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid | 組成式: | C9 H18 N2 O3 | SMILES: | NC(CCCCC(=O)N(C)C)C(=O)O | InChi: | InChI=1S/C9H18N2O3/c1-11(2)8(12)6-4-3-5-7(10)9(13)14/h7H,3-6,10H2,1-2H3,(H,13,14)/t7-/m0/s1 | 定義日: | 2024-04-08 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (2S)-2-amino-7-(dimethylamino)-7-oxoheptanoic acid |
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![A1APA A1APA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APA.svg) | A1APA | 表記: | cobicistat | 組成式: | C40 H53 N7 O5 S2 | SMILES: | CC(C)c1nc(CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(Cc2ccccc2)CCC(Cc2ccccc2)NC(=O)OCc2cncs2)cs1 | InChi: | InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36+/m1/s1 | 別名: | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate | 定義日: | 2024-04-20 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (1,3-thiazol-5-yl)methyl {(2R,5R)-5-[(2S)-2-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamamido)-4-(morpholin-4-yl)butanamido]-1,6-diphenylhexan-2-yl}carbamate |
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![A1APE A1APE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1APE.svg) | A1APE | 表記: | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | 組成式: | C26 H38 N5 O21 P3 | SMILES: | O=C1C=CN(C(=O)N1)C1OC(COP(=O)(O)OP(=O)(O)OC2OCC(OCc3c(COP(=O)(O)O)cnc(C)c3O)C(NC(C)=O)C2NC(C)=O)C(O)C1O | InChi: | InChI=1S/C26H38N5O21P3/c1-11-21(35)15(14(6-27-11)7-48-53(39,40)41)8-46-16-9-47-25(20(29-13(3)33)19(16)28-12(2)32)51-55(44,45)52-54(42,43)49-10-17-22(36)23(37)24(50-17)31-5-4-18(34)30-26(31)38/h4-6,16-17,19-20,22-25,35-37H,7-10H2,1-3H3,(H,28,32)(H,29,33)(H,42,43)(H,44,45)(H,30,34,38)(H2,39,40,41)/t16-,17+,19-,20+,22+,23+,24+,25+/m0/s1 | 定義日: | 2024-04-22 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (2R,3R,4R,5R)-3,4-diacetamido-5-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methoxy)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![A1AUU A1AUU](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AUU.svg) | A1AUU | 表記: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one | 組成式: | C19 H22 F N3 O2 | SMILES: | O=C(C1CC(=O)NCC1)N1CCC(CC1)c1c[NH]c2ccc(F)cc12 | InChi: | InChI=1S/C19H22FN3O2/c20-14-1-2-17-15(10-14)16(11-22-17)12-4-7-23(8-5-12)19(25)13-3-6-21-18(24)9-13/h1-2,10-13,22H,3-9H2,(H,21,24)/t13-/m1/s1 | 定義日: | 2024-06-10 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one |
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![A1D5B A1D5B](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5B.svg) | A1D5B | 表記: | methyl (2~{S})-2,6-bis(azanyl)hexanoate | 組成式: | C7 H16 N2 O2 | SMILES: | COC(=O)[CH](N)CCCCN | InChi: | InChI=1S/C7H16N2O2/c1-11-7(10)6(9)4-2-3-5-8/h6H,2-5,8-9H2,1H3/t6-/m0/s1 | 別名: | Methyl lysinate | 定義日: | 2024-01-02 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | methyl (2~{S})-2,6-bis(azanyl)hexanoate |
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![A1D5D A1D5D](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5D.svg) | A1D5D | 表記: | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide | 組成式: | C38 H49 N5 O2 | SMILES: | C[CH](CCN)CC(C)(C)CNC(=O)[CH](Cc1cccc2ccccc12)NC(=O)N(CCc3ccccc3)CCc4ccccn4 | InChi: | InChI=1S/C38H49N5O2/c1-29(19-22-39)27-38(2,3)28-41-36(44)35(26-32-16-11-15-31-14-7-8-18-34(31)32)42-37(45)43(24-20-30-12-5-4-6-13-30)25-21-33-17-9-10-23-40-33/h4-18,23,29,35H,19-22,24-28,39H2,1-3H3,(H,41,44)(H,42,45)/t29-,35+/m1/s1 | 別名: | L797591 | 定義日: | 2024-01-03 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (2~{S})-~{N}-[(4~{S})-6-azanyl-2,2,4-trimethyl-hexyl]-3-naphthalen-1-yl-2-[[2-phenylethyl(2-pyridin-2-ylethyl)carbamoyl]amino]propanamide |
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![A1D5E A1D5E](https://data.pdbj.org/pdbjplus/data/cc/svg/A1D5E.svg) | A1D5E | 表記: | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid | 組成式: | C8 H15 N3 O4 | SMILES: | NCCNC(=O)O[CH]1CN[CH](C1)C(O)=O | InChi: | InChI=1S/C8H15N3O4/c9-1-2-10-8(14)15-5-3-6(7(12)13)11-4-5/h5-6,11H,1-4,9H2,(H,10,14)(H,12,13)/t5-,6+/m1/s1 | 別名: | 4-((((2-AMINOETHYL)AMINO)CARBONYL)OXY)-L-PROLINE, (4R)- | 定義日: | 2024-01-04 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | (2~{S},4~{R})-4-(2-azanylethylcarbamoyloxy)pyrrolidine-2-carboxylic acid |
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![CIV CIV](https://data.pdbj.org/pdbjplus/data/cc/svg/CIV.svg) | CIV | 表記: | 2-[2-[(1~{S})-1,5-bis(azanyl)pentyl]-4-[(4-hydroxyphenyl)methyl]-5-oxidanylidene-imidazol-1-yl]ethanamide | 組成式: | C17 H23 N4 O4 | SMILES: | NCCCCC(N)C=1N=C(Cc2ccc(O)cc2)C(=O)[N+]=1CC(N)=O | InChi: | InChI=1S/C17H22N4O4/c18-8-2-1-3-13(19)16-20-14(17(25)21(16)10-15(23)24)9-11-4-6-12(22)7-5-11/h4-7,13H,1-3,8-10,18-19H2,(H-,22,23,24)/p+1/t13-/m0/s1 | 別名: | CHROMOPHORE (LYS-TYR-GLY) | 定義日: | 2021-11-22 | 最終更新日: | 2024-06-28 | 公開日: | 2022-04-20 | 識別子(ID): | 3-(2-amino-2-oxoethyl)-2-[(1S)-1,5-diaminopentyl]-5-[(4-hydroxyphenyl)methyl]-4-oxo-4H-imidazol-3-ium |
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![CR0 CR0](https://data.pdbj.org/pdbjplus/data/cc/svg/CR0.svg) | CR0 | 表記: | [2-(1-AMINO-2-HYDROXYPROPYL)-2-HYDROXY-4-ISOBUTYL-5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETALDEHYDE | 組成式: | C12 H21 N3 O5 | SMILES: | O=CCN1C(=O)C(=NC1(O)C(N)C(O)C)CC(C)C | InChi: | InChI=1S/C12H21N3O5/c1-6(2)4-8-11(19)15(5-9(17)18)12(20,14-8)10(13)7(3)16/h6-7,10,16,20H,4-5,13H2,1-3H3,(H,17,18)/t7-,10+,12-/m1/s1 | 別名: | 1-(2-ETHANONE)-2-HYDROXY-2-(1-AMINO-2-METHYL-2-ETHANOL)-4-(2-DIMETHYL)ETHANE-IMIDAZOLINE-5-ONE | 定義日: | 2004-02-05 | 最終更新日: | 2024-06-28 | 識別子(ID): | [(2R)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-2-hydroxy-4-(2-methylpropyl)-5-oxo-2,5-dihydro-1H-imidazol-1-yl]acetaldehyde |
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![CRK CRK](https://data.pdbj.org/pdbjplus/data/cc/svg/CRK.svg) | CRK | 表記: | 4-{(Z)-[2-[3-(METHYLSULFANYL)PROPANOYL]-5-OXO-1-(2-OXOETHYL)-1,5-DIHYDRO-4H-IMIDAZOL-4-YLIDENE]METHYL}BENZENOLATE | 組成式: | C16 H15 N2 O5 S | SMILES: | O=C(C1=N/C(C(=O)N1CC=O)=C/c2ccc([O-])cc2)CCSC | InChi: | InChI=1S/C16H16N2O5S/c1-24-7-6-13(20)15-17-12(16(23)18(15)9-14(21)22)8-10-2-4-11(19)5-3-10/h2-5,8,19H,6-7,9H2,1H3,(H,21,22)/p-1/b12-8+ | 定義日: | 2004-10-11 | 最終更新日: | 2024-06-28 | 識別子(ID): | 4-[(E)-{2-[3-(methylsulfanyl)propanoyl]-5-oxo-1-(2-oxoethyl)-1,5-dihydro-4H-imidazol-4-ylidene}methyl]phenolate |
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![9AC 9AC](https://data.pdbj.org/pdbjplus/data/cc/svg/9AC.svg) | 9AC | 表記: | 9-ACRIDINECARBONYL | 組成式: | C14 H9 N O2 | SMILES: | O=Cc1c3c(nc2c1cccc2)cccc3 | InChi: | InChI=1S/C14H9NO2/c16-14(17)13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H,(H,16,17) | 別名: | 9-ACRIDINOYL | 定義日: | 2000-11-10 | 最終更新日: | 2024-06-28 | 識別子(ID): | acridine-9-carbaldehyde |
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![9JC 9JC](https://data.pdbj.org/pdbjplus/data/cc/svg/9JC.svg) | 9JC | 表記: | 4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde | 組成式: | C11 H11 N3 O2 | SMILES: | NCc1cc(nc2c(N)cccc12)C(O)=O | InChi: | InChI=1S/C11H11N3O2/c12-5-6-4-9(11(15)16)14-10-7(6)2-1-3-8(10)13/h1-4H,5,12-13H2,(H,15,16) | 定義日: | 2021-11-15 | 最終更新日: | 2024-06-28 | 公開日: | 2023-09-27 | 識別子(ID): | 4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid |
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![0TJ 0TJ](https://data.pdbj.org/pdbjplus/data/cc/svg/0TJ.svg) | 0TJ | 表記: | N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide | 組成式: | C15 H15 Br4 N3 O3 | SMILES: | O=CCCCCCNC(=O)Cn1c2c(Br)c(Br)c(Br)c(Br)c2nc1 | InChi: | InChI=1S/C15H15Br4N3O3/c16-10-11(17)13(19)15-14(12(10)18)21-7-22(15)6-8(23)20-5-3-1-2-4-9(24)25/h7H,1-6H2,(H,20,23)(H,24,25) | 定義日: | 2012-06-06 | 最終更新日: | 2024-06-28 | 公開日: | 2012-10-12 | 識別子(ID): | N-(6-oxohexyl)-2-(4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetamide |
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![LTE LTE](https://data.pdbj.org/pdbjplus/data/cc/svg/LTE.svg) | LTE | 表記: | 1-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]-3-[(4~{S})-4-azanyl-5-oxidanylidene-pentyl]guanidine | 組成式: | C18 H29 N9 O5 | SMILES: | N[CH](CCCNC(=N)NCCC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O | InChi: | InChI=1S/C18H29N9O5/c19-9(17(30)31)3-1-5-22-18(21)23-6-2-4-10-12(28)13(29)16(32-10)27-8-26-11-14(20)24-7-25-15(11)27/h7-10,12-13,16,28-29H,1-6,19H2,(H,30,31)(H2,20,24,25)(H3,21,22,23)/t9-,10+,12+,13+,16+/m0/s1 | 定義日: | 2019-09-04 | 最終更新日: | 2024-06-28 | 公開日: | 2020-09-30 | 識別子(ID): | (2~{S})-5-[[~{N}-[3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]propyl]carbamimidoyl]amino]-2-azanyl-pentanoic acid |
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![EX8 EX8](https://data.pdbj.org/pdbjplus/data/cc/svg/EX8.svg) | EX8 | 表記: | (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde | 組成式: | C5 H8 F N O3 | SMILES: | O[CH]1CN[CH]([CH]1F)C(O)=O | InChi: | InChI=1S/C5H8FNO3/c6-3-2(8)1-7-4(3)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3-,4-/m0/s1 | 定義日: | 2018-05-03 | 最終更新日: | 2024-06-28 | 公開日: | 2018-07-11 | 識別子(ID): | (2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
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![5VV 5VV](https://data.pdbj.org/pdbjplus/data/cc/svg/5VV.svg) | 5VV | 表記: | N-carbamoyl-L-Asparagine | 組成式: | C5 H8 N2 O5 | SMILES: | NC(=O)C[CH](NC(O)=O)C(O)=O | InChi: | InChI=1S/C5H8N2O5/c6-3(8)1-2(4(9)10)7-5(11)12/h2,7H,1H2,(H2,6,8)(H,9,10)(H,11,12)/t2-/m0/s1 | 定義日: | 2015-12-14 | 最終更新日: | 2024-06-28 | 公開日: | 2016-05-18 | 識別子(ID): | (2~{S})-4-azanyl-2-(carboxyamino)-4-oxidanylidene-butanoic acid |
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![4M9 4M9](https://data.pdbj.org/pdbjplus/data/cc/svg/4M9.svg) | 4M9 | 表記: | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide | 組成式: | C18 H17 N5 O4 | SMILES: | O=C1/C(N=C(N1CC=O)/C(CCC(=O)N)=N)=C/c2cnc3ccccc23 | InChi: | InChI=1S/C18H17N5O4/c19-12(5-6-15(20)24)17-22-14(18(27)23(17)9-16(25)26)7-10-8-21-13-4-2-1-3-11(10)13/h1-4,7-8,19,21H,5-6,9H2,(H2,20,24)(H,25,26)/b14-7-,19-12+ | 別名: | CHROMOPHORE (GLN-TRP-GLY) | 定義日: | 2015-04-15 | 最終更新日: | 2024-06-28 | 公開日: | 2015-12-23 | 識別子(ID): | (4Z)-4-imino-4-[(4Z)-4-(1H-indol-3-ylmethylidene)-5-oxo-1-(2-oxoethyl)-4,5-dihydro-1H-imidazol-2-yl]butanamide |
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![DUG DUG](https://data.pdbj.org/pdbjplus/data/cc/svg/DUG.svg) | DUG | 表記: | (3-chloro-4-fluorophenoxy)acetaldehyde | 組成式: | C8 H6 Cl F O3 | SMILES: | Fc1ccc(cc1Cl)OCC=O | InChi: | InChI=1S/C8H6ClFO3/c9-6-3-5(1-2-7(6)10)13-4-8(11)12/h1-3H,4H2,(H,11,12) | 定義日: | 2017-11-07 | 最終更新日: | 2024-06-28 | 公開日: | 2018-10-17 | 識別子(ID): | (3-chloro-4-fluorophenoxy)acetaldehyde |
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![2N2 2N2](https://data.pdbj.org/pdbjplus/data/cc/svg/2N2.svg) | 2N2 | 表記: | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid | 組成式: | C27 H26 N2 O7 S | SMILES: | O=CCCCCCNC(=S)Nc1ccc(c(C(=O)O)c1)C3c4c(Oc2c3ccc(O)c2)cc(O)cc4 | InChi: | InChI=1S/C27H26N2O7S/c30-16-6-9-19-22(13-16)36-23-14-17(31)7-10-20(23)25(19)18-8-5-15(12-21(18)26(34)35)29-27(37)28-11-3-1-2-4-24(32)33/h5-10,12-14,25,30-31H,1-4,11H2,(H,32,33)(H,34,35)(H2,28,29,37) | 定義日: | 2013-12-05 | 最終更新日: | 2024-06-28 | 公開日: | 2014-02-26 | 識別子(ID): | 2-(3,6-dihydroxy-9H-xanthen-9-yl)-5-{[(6-oxohexyl)carbamothioyl]amino}benzoic acid |
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![ORT ORT](https://data.pdbj.org/pdbjplus/data/cc/svg/ORT.svg) | ORT | 表記: | (4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide | 組成式: | C5 H11 N3 O3 | SMILES: | NNC(=O)CC[CH](N)C(O)=O | InChi: | InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)/t3-/m0/s1 | 定義日: | 2020-04-01 | 最終更新日: | 2024-06-28 | 公開日: | 2020-07-01 | 識別子(ID): | (2~{S})-2-azanyl-5-diazanyl-5-oxidanylidene-pentanoic acid |
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![2UC 2UC](https://data.pdbj.org/pdbjplus/data/cc/svg/2UC.svg) | 2UC | 表記: | 1-[3-(2-oxoethyl)benzyl]guanidine | 組成式: | C10 H13 N3 O2 | SMILES: | O=CCc1cccc(c1)CNC(=[N@H])N | InChi: | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) | 定義日: | 2014-02-07 | 最終更新日: | 2024-06-28 | 公開日: | 2014-04-09 | 識別子(ID): | 1-[3-(2-oxoethyl)benzyl]guanidine |
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![P5R P5R](https://data.pdbj.org/pdbjplus/data/cc/svg/P5R.svg) | P5R | 表記: | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol | 組成式: | C34 H70 O18 | SMILES: | OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO | InChi: | InChI=1S/C34H70O18/c35-1-3-37-5-7-39-9-11-41-13-15-43-17-19-45-21-23-47-25-27-49-29-31-51-33-34-52-32-30-50-28-26-48-24-22-46-20-18-44-16-14-42-12-10-40-8-6-38-4-2-36/h35-36H,1-34H2 | 定義日: | 2023-08-22 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
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![A1IA7 A1IA7](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IA7.svg) | A1IA7 | 表記: | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1H-pyrimidine-4-carboxylic acid | 組成式: | C17 H12 N2 O4 | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccc(cc2)c3ccccc3 | InChi: | InChI=1S/C17H12N2O4/c20-14-13(17(22)23)18-15(19-16(14)21)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,20H,(H,22,23)(H,18,19,21) | 定義日: | 2024-05-10 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 5-oxidanyl-6-oxidanylidene-2-(4-phenylphenyl)-1~{H}-pyrimidine-4-carboxylic acid |
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![A1IA8 A1IA8](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IA8.svg) | A1IA8 | 表記: | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1H-pyrimidine-4-carboxylic acid | 組成式: | C19 H13 N3 O4 | SMILES: | OC(=O)C1=C(O)C(=O)NC(=N1)c2ccccc2c3ccc(CC#N)cc3 | InChi: | InChI=1S/C19H13N3O4/c20-10-9-11-5-7-12(8-6-11)13-3-1-2-4-14(13)17-21-15(19(25)26)16(23)18(24)22-17/h1-8,23H,9H2,(H,25,26)(H,21,22,24) | 定義日: | 2024-05-10 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | 2-[2-[4-(cyanomethyl)phenyl]phenyl]-5-oxidanyl-6-oxidanylidene-1~{H}-pyrimidine-4-carboxylic acid |
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![A1IBD A1IBD](https://data.pdbj.org/pdbjplus/data/cc/svg/A1IBD.svg) | A1IBD | 表記: | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide | 組成式: | C10 H16 N2 O2 S | SMILES: | C[CH](N)CN[S](=O)(=O)c1ccc(C)cc1 | InChi: | InChI=1S/C10H16N2O2S/c1-8-3-5-10(6-4-8)15(13,14)12-7-9(2)11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1 | 定義日: | 2024-05-10 | 最終更新日: | 2024-06-28 | 公開日: | 2024-07-03 | 識別子(ID): | ~{N}-[(2~{S})-2-azanylpropyl]-4-methyl-benzenesulfonamide |
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