 | | 9J3 | | Name: | 4-ethoxy-4-oxobutanoic acid | | Formula: | C6 H10 O4 | | SMILES: | OC(=O)CCC(=O)OCC | | InChi: | InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8) | | Definition date: | 2018-05-02 | | Last modified: | 2024-09-27 | | Release date: | 2018-09-12 | | Identifier: | 4-ethoxy-4-oxobutanoic acid |
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 | | LX5 | | Name: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate | | Formula: | C6 H12 O7 S | | SMILES: | OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O | | InChi: | InChI=1S/C6H12O7S/c7-2-3-5(13-14(10,11)12)1-4(8)6(3)9/h3-9H,1-2H2,(H,10,11,12)/t3-,4+,5+,6+/m1/s1 | | Definition date: | 2019-09-26 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-26 | | Identifier: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate |
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 | | LXB | | Name: | 2-acetamido-2-deoxy-beta-D-gulopyranose | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7+,8-/m1/s1 | | Synonyms: | N-acetyl-beta-D-gulosamine | | Definition date: | 2008-07-23 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-2-deoxy-beta-D-gulopyranose |
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 | | 9JC | | Name: | 4-(aminomethyl)-8-azanyl-quinoline-2-carbaldehyde | | Formula: | 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) | | Definition date: | 2021-11-15 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-27 | | Identifier: | 4-(aminomethyl)-8-azanyl-quinoline-2-carboxylic acid |
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 | | LXD | | Name: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile | | Formula: | C30 H37 N9 O2 S | | SMILES: | C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O)C=C | | InChi: | InChI=1S/C30H37N9O2S/c1-5-25(40)38-12-10-37(11-13-38)20-15-22(33-24(16-20)39-14-9-36(4)18-19(39)2)28-34-29(41-35-28)30(3)8-6-7-23-26(30)21(17-31)27(32)42-23/h5,15-16,19H,1,6-14,18,32H2,2-4H3/t19-,30-/m0/s1 | | Definition date: | 2022-07-18 | | Last modified: | 2024-09-27 | | Release date: | 2022-11-09 | | Identifier: | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile |
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 | | LXE | | Name: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium | | Formula: | C6 H14 N O3 | | SMILES: | [NH3+][CH]1C[CH](O)[CH](O)[CH]1CO | | InChi: | InChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/p+1/t3-,4+,5+,6+/m1/s1 | | Definition date: | 2019-09-27 | | Last modified: | 2024-09-27 | | Release date: | 2020-02-26 | | Identifier: | [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium |
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 | | LXF | | Name: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide | | Formula: | C17 H17 N3 O3 S2 | | SMILES: | O=S(=O)(NCCc1ccccc1)c1cccc2sc(nc12)NC(C)=O | | InChi: | InChI=1S/C17H17N3O3S2/c1-12(21)19-17-20-16-14(24-17)8-5-9-15(16)25(22,23)18-11-10-13-6-3-2-4-7-13/h2-9,18H,10-11H2,1H3,(H,19,20,21) | | Definition date: | 2023-08-15 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide |
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 | | 9JK | | Name: | ~{N}-phenyl-2-sulfanyl-benzamide | | Formula: | C13 H11 N O S | | SMILES: | Sc1ccccc1C(=O)Nc2ccccc2 | | InChi: | InChI=1S/C13H11NOS/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15) | | Definition date: | 2017-05-25 | | Last modified: | 2024-09-27 | | Release date: | 2018-06-13 | | Identifier: | ~{N}-phenyl-2-sulfanyl-benzamide |
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 | | LXO | | Name: | 4-(pyridin-4-ylamino)butanoic acid | | Formula: | C9 H12 N2 O2 | | SMILES: | OC(=O)CCCNc1ccncc1 | | InChi: | InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13) | | Definition date: | 2022-12-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-12-13 | | Identifier: | 4-(pyridin-4-ylamino)butanoic acid |
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 | | 9JT | | Name: | N-phenyl-2-selanylbenzamide | | Formula: | C13 H11 N O Se | | SMILES: | O=C(Nc1ccccc1)c1ccccc1[SeH] | | InChi: | InChI=1S/C13H11NOSe/c15-13(11-8-4-5-9-12(11)16)14-10-6-2-1-3-7-10/h1-9,16H,(H,14,15) | | Synonyms: | ~{N}-phenyl-2-selanyl-benzamide | | Definition date: | 2017-05-26 | | Last modified: | 2024-09-27 | | Release date: | 2018-06-13 | | Identifier: | N-phenyl-2-selanylbenzamide |
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 | | 9JV | | Name: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid | | Formula: | C11 H10 N2 O3 | | SMILES: | COc1cc(nc2c(N)cccc12)C(O)=O | | InChi: | InChI=1S/C11H10N2O3/c1-16-9-5-8(11(14)15)13-10-6(9)3-2-4-7(10)12/h2-5H,12H2,1H3,(H,14,15) | | Definition date: | 2021-11-15 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-27 | | Identifier: | 8-azanyl-4-methoxy-quinoline-2-carboxylic acid |
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 | | LXV | | Name: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide | | Formula: | C12 H15 Br2 N3 O2 S | | SMILES: | Brc1cc(c(Br)cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C | | InChi: | InChI=1S/C12H15Br2N3O2S/c1-8-4-10(6-17(8)7-15)16-20(18,19)12-5-9(13)2-3-11(12)14/h2-3,5,7-8,10,15-16H,4,6H2,1H3/b15-7+/t8-,10+/m0/s1 | | Definition date: | 2010-11-02 | | Last modified: | 2024-09-27 | | Identifier: | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide |
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 | | LXZ | | Name: | 2-acetamido-2-deoxy-alpha-D-idopyranose | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5+,6+,7+,8+/m1/s1 | | Synonyms: | N-acetyl-alpha-D-idosamine | | Definition date: | 2008-07-09 | | Last modified: | 2024-09-27 | | Identifier: | 2-(acetylamino)-2-deoxy-alpha-D-idopyranose |
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 | | 9K0 | | Name: | (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one | | Formula: | C26 H38 O3 | | SMILES: | O=C(C=C)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C | | InChi: | InChI=1S/C26H38O3/c1-5-21(27)11-8-17(2)22-12-13-23-20(7-6-14-26(22,23)4)10-9-19-15-24(28)18(3)25(29)16-19/h5,9-10,17,22-25,28-29H,1,3,6-8,11-16H2,2,4H3/b20-10+/t17-,22-,23+,24-,25-,26-/m1/s1 | | Definition date: | 2018-05-17 | | Last modified: | 2024-09-27 | | Release date: | 2018-07-18 | | Identifier: | (6R)-6-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]hept-1-en-3-one |
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 | | 9K5 | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate | | Formula: | C17 H16 F N5 O7 S | | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](COC(=O)c4cccc(c4)[S](F)(=O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C17H16FN5O7S/c18-31(27,28)9-3-1-2-8(4-9)17(26)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | | Definition date: | 2017-05-28 | | Last modified: | 2024-09-27 | | Release date: | 2018-02-07 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 3-fluorosulfonylbenzoate |
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 | | 9K8 | | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate | | Formula: | C19 H20 F N5 O7 S | | SMILES: | CCc1ccc(cc1[S](F)(=O)=O)C(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34 | | InChi: | InChI=1S/C19H20FN5O7S/c1-2-9-3-4-10(5-12(9)33(20,29)30)19(28)31-6-11-14(26)15(27)18(32-11)25-8-24-13-16(21)22-7-23-17(13)25/h3-5,7-8,11,14-15,18,26-27H,2,6H2,1H3,(H2,21,22,23)/t11-,14-,15-,18-/m1/s1 | | Definition date: | 2017-05-28 | | Last modified: | 2024-09-27 | | Release date: | 2018-02-07 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl 4-ethyl-3-fluorosulfonyl-benzoate |
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 | | LYF | | Name: | (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid | | Formula: | C13 H22 N2 O7 | | SMILES: | O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O | | InChi: | InChI=1S/C13H22N2O7/c14-9(12(19)20)3-1-2-6-15-10(13(21)22)7-8(16)4-5-11(17)18/h8-9,16H,1-7,14H2,(H,17,18)(H,19,20)(H,21,22)/b15-10+/t8-,9-/m0/s1 | | Definition date: | 2011-10-25 | | Last modified: | 2024-09-27 | | Identifier: | (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid |
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 | | LYH | | Name: | 3,4 ENE-LYSINE | | Formula: | C6 H12 N2 O2 | | SMILES: | O=C(O)C(/C=C/CCN)N | | InChi: | InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1 | | Synonyms: | (2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID | | Definition date: | 2011-03-14 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | (2S,3E)-2,6-diaminohex-3-enoic acid |
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 | | 9KK | | Name: | N-methyl norleucine | | Formula: | C7 H15 N O2 | | SMILES: | CCCC[CH](NC)C(O)=O | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5-6(8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1 | | Definition date: | 2017-05-30 | | Last modified: | 2024-09-27 | | Release date: | 2017-09-20 | | Identifier: | (2~{S})-2-(methylamino)hexanoic acid |
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 | | LYJ | | Name: | (2S)-2,6-diaminohexan-1-ol | | Formula: | C6 H16 N2 O | | SMILES: | OCC(N)CCCCN | | InChi: | InChI=1S/C6H16N2O/c7-4-2-1-3-6(8)5-9/h6,9H,1-5,7-8H2/t6-/m0/s1 | | Definition date: | 2012-01-18 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2,6-diaminohexan-1-ol |
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 | | LYK | | Name: | (2S)-2,6-diaminohexane-1,1-diol | | Formula: | C6 H16 N2 O2 | | SMILES: | OC(O)C(N)CCCCN | | InChi: | InChI=1S/C6H16N2O2/c7-4-2-1-3-5(8)6(9)10/h5-6,9-10H,1-4,7-8H2/t5-/m0/s1 | | Definition date: | 2010-10-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-2,6-diaminohexane-1,1-diol |
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 | | 9KP | | Name: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine | | Formula: | C17 H20 N2 O6 | | SMILES: | C(/C(=O)O)(=NCCCCC(N)C(=O)O)C=Cc1c(C(O)=O)cccc1 | | InChi: | InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1 | | Definition date: | 2017-05-18 | | Last modified: | 2024-09-27 | | Release date: | 2019-04-10 | | Identifier: | (E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine |
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 | | LYN | | Name: | 2,6-DIAMINO-HEXANOIC ACID AMIDE | | Formula: | C6 H16 N3 O | | SMILES: | O=C(N)C(N)CCCC[NH3+] | | InChi: | InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1 | | Definition date: | 2000-11-10 | | Last modified: | 2024-09-27 | | Identifier: | 6-ammonio-L-norleucinamide |
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 | | 9KR | | Name: | (E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one | | Formula: | C27 H40 O3 | | SMILES: | O=C(C=CC)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C | | InChi: | InChI=1S/C27H40O3/c1-5-7-22(28)12-9-18(2)23-13-14-24-21(8-6-15-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h5,7,10-11,18,23-26,29-30H,3,6,8-9,12-17H2,1-2,4H3/b7-5+,21-11+/t18-,23-,24+,25-,26-,27-/m1/s1 | | Definition date: | 2018-05-22 | | Last modified: | 2024-09-27 | | Release date: | 2018-07-18 | | Identifier: | (2E,7R)-7-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-2-en-4-one |
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 | | LYO | | Name: | 4-HYDROXY-LYSINE | | Formula: | C6 H14 N2 O3 | | SMILES: | O=C(O)C(N)CC(O)CCN | | InChi: | InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5-/m0/s1 | | Definition date: | 2011-03-30 | | Last modified: | 2024-09-27 | | Release date: | 2012-10-19 | | Identifier: | (4S)-4-hydroxy-L-lysine |
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