| 01W | Name: | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | Formula: | C10 H12 N4 O6 | SMILES: | [O-][N+](=O)c1ccc(NCCC(C([O-])=O)[NH3+])c(c1)[N+]([O-])=O | InChi: | InChI=1S/C10H12N4O6/c11-7(10(15)16)3-4-12-8-2-1-6(13(17)18)5-9(8)14(19)20/h1-2,5,7,12H,3-4,11H2,(H,15,16)/t7-/m0/s1 | Definition date: | 2008-07-21 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate |
|
| 02A | Name: | (2S)-azetidine-2-carboxylic acid | Formula: | C4 H7 N O2 | SMILES: | O=C(O)C1NCC1 | InChi: | InChI=1S/C4H7NO2/c6-4(7)3-1-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1 | Definition date: | 2011-02-25 | Last modified: | 2024-09-27 | Identifier: | (2S)-azetidine-2-carboxylic acid |
|
| 02G | Name: | (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid | Formula: | C7 H12 O3 S | SMILES: | O=C(O)CC(O)/C=C/CCS | InChi: | InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1 | Definition date: | 2011-05-04 | Last modified: | 2024-09-27 | Identifier: | (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid |
|
| 02J | Name: | 5-methyl-1,2-oxazole-3-carboxylic acid | Formula: | C5 H5 N O3 | SMILES: | O=C(O)c1noc(c1)C | InChi: | InChI=1S/C5H5NO3/c1-3-2-4(5(7)8)6-9-3/h2H,1H3,(H,7,8) | Definition date: | 2011-06-17 | Last modified: | 2024-09-27 | Identifier: | 5-methyl-1,2-oxazole-3-carboxylic acid |
|
| 02K | Name: | 1-aminocyclohexanecarboxylic acid | Formula: | C7 H13 N O2 | SMILES: | O=C(O)C1(N)CCCCC1 | InChi: | InChI=1S/C7H13NO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5,8H2,(H,9,10) | Definition date: | 2011-06-15 | Last modified: | 2024-09-27 | Identifier: | 1-aminocyclohexanecarboxylic acid |
|
| 02N | Name: | 1-(4-methylphenyl)methanamine | Formula: | C8 H11 N | SMILES: | NCc1ccc(cc1)C | InChi: | InChI=1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3 | Definition date: | 2011-06-17 | Last modified: | 2024-09-27 | Identifier: | 1-(4-methylphenyl)methanamine |
|
| 02U | Name: | 14-methylhexadec-9-enoic acid | Formula: | C17 H32 O2 | SMILES: | O=C(O)CCCCCCC/C=C/CCCC(C)CC | InChi: | InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19) | Definition date: | 2011-06-10 | Last modified: | 2024-09-27 | Identifier: | 14-methylhexadec-9-enoic acid |
|
| 02V | Name: | (2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid | Formula: | C9 H11 N O4 | SMILES: | O=C(O)C(c1cc(O)c(O)cc1)NC | InChi: | InChI=1S/C9H11NO4/c1-10-8(9(13)14)5-2-3-6(11)7(12)4-5/h2-4,8,10-12H,1H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2011-06-10 | Last modified: | 2024-09-27 | Identifier: | (2S)-(3,4-dihydroxyphenyl)(methylamino)ethanoic acid |
|
| 02Y | Name: | 6-diazonio-5-oxo-L-norleucine | Formula: | C6 H10 N3 O3 | SMILES: | O=C(CCC(N)C(=O)O)C[N+]#N | InChi: | InChI=1S/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h5H,1-3,7H2/p+1/t5-/m0/s1 | Definition date: | 2011-07-18 | Last modified: | 2024-09-27 | Identifier: | 6-diazonio-5-oxo-L-norleucine |
|
| 03E | Name: | 1-aminocycloheptanecarboxylic acid | Formula: | C8 H15 N O2 | SMILES: | O=C(O)C1(N)CCCCCC1 | InChi: | InChI=1S/C8H15NO2/c9-8(7(10)11)5-3-1-2-4-6-8/h1-6,9H2,(H,10,11) | Definition date: | 2011-08-14 | Last modified: | 2024-09-27 | Identifier: | 1-aminocycloheptanecarboxylic acid |
|
| 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: | 2024-09-27 | Identifier: | 4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoic acid |
|
| 03S | Name: | methanesulfonic acid | Formula: | C H4 O3 S | SMILES: | O=S(=O)(O)C | InChi: | InChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4) | Definition date: | 2011-09-30 | Last modified: | 2024-09-27 | Identifier: | methanesulfonic acid |
|
| 03Y | Name: | 2-methyl-L-cysteine | Formula: | C4 H9 N O2 S | SMILES: | O=C(O)C(N)(C)CS | InChi: | InChI=1S/C4H9NO2S/c1-4(5,2-8)3(6)7/h8H,2,5H2,1H3,(H,6,7)/t4-/m0/s1 | Definition date: | 2011-05-04 | Last modified: | 2024-09-27 | Identifier: | 2-methyl-L-cysteine |
|
| 042 | Name: | N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE | Formula: | C16 H26 N2 O8 | SMILES: | O=C(NC(C(=O)NC(C(=O)O)C(C)CC)C(O)C)C1OC1C(=O)OCC | InChi: | InChI=1S/C16H26N2O8/c1-5-7(3)9(15(22)23)17-13(20)10(8(4)19)18-14(21)11-12(26-11)16(24)25-6-2/h7-12,19H,5-6H2,1-4H3,(H,17,20)(H,18,21)(H,22,23)/t7-,8+,9-,10-,11-,12-/m0/s1 | Synonyms: | CA042 | Definition date: | 2006-01-04 | Last modified: | 2024-09-27 | Identifier: | N-{[(2S,3S)-3-(ethoxycarbonyl)oxiran-2-yl]carbonyl}-L-threonyl-L-isoleucine |
|
| 049 | Name: | 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol | Formula: | C14 H19 N O3 | SMILES: | O=C(NC(C(O)C1(OC1)C)Cc2ccccc2)C | InChi: | InChI=1S/C14H19NO3/c1-10(16)15-12(13(17)14(2)9-18-14)8-11-6-4-3-5-7-11/h3-7,12-13,17H,8-9H2,1-2H3,(H,15,16)/t12-,13+,14+/m0/s1 | Definition date: | 2011-11-18 | Last modified: | 2024-09-27 | Identifier: | 2-(acetylamino)-4,5-anhydro-1,2-dideoxy-4-methyl-1-phenyl-D-xylitol |
|
| 04C | Name: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol | Formula: | C31 H44 N4 O7 | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(Cc1ccccc1)C(O)C(C)CO)Cc2ccc(OC)cc2)C)CN3CCOCC3 | InChi: | InChI=1S/C31H44N4O7/c1-21(20-36)29(38)26(17-23-7-5-4-6-8-23)33-31(40)27(18-24-9-11-25(41-3)12-10-24)34-30(39)22(2)32-28(37)19-35-13-15-42-16-14-35/h4-12,21-22,26-27,29,36,38H,13-20H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t21-,22+,26+,27+,29+/m1/s1 | Definition date: | 2011-12-29 | Last modified: | 2024-09-27 | Identifier: | 1,2,4-trideoxy-4-methyl-2-{[N-(morpholin-4-ylacetyl)-L-alanyl-O-methyl-L-tyrosyl]amino}-1-phenyl-D-xylitol |
|
| 04D | Name: | (2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol | Formula: | C9 H21 N O2 | SMILES: | OCC(C(O)C(N)CC(C)C)C | InChi: | InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9-/m1/s1 | Definition date: | 2012-01-10 | Last modified: | 2024-09-27 | Identifier: | (2R,3R,4S)-4-amino-2,6-dimethylheptane-1,3-diol |
|
| 04E | Name: | iodoacetic acid | Formula: | C2 H3 I O2 | SMILES: | ICC(=O)O | InChi: | InChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5) | Definition date: | 2012-05-07 | Last modified: | 2024-09-27 | Identifier: | iodoacetic acid |
|
| 04Q | Name: | N-benzylglycine | Formula: | C9 H11 N O2 | SMILES: | O=C(O)CNCc1ccccc1 | InChi: | InChI=1S/C9H11NO2/c11-9(12)7-10-6-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12) | Definition date: | 2012-06-22 | Last modified: | 2024-09-27 | Identifier: | N-benzylglycine |
|
| 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: | 2024-09-27 | Release date: | 2014-07-30 | Identifier: | (2S)-5-(morpholin-4-ylmethyl)-1,2,3,6-tetrahydropyridine-2-carboxylic acid |
|
| 05N | Name: | (3R,4R)-4-hydroxy-3-methyl-L-proline | Formula: | C6 H11 N O3 | SMILES: | O=C(O)C1NCC(O)C1C | InChi: | InChI=1S/C6H11NO3/c1-3-4(8)2-7-5(3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1 | Definition date: | 2012-10-25 | Last modified: | 2024-09-27 | Release date: | 2012-12-21 | Identifier: | (3R,4R)-4-hydroxy-3-methyl-L-proline |
|
| 05O | Name: | (2S)-2-amino-3-[4-(trifluoromethoxy)phenyl]propanal | Formula: | C10 H10 F3 N O3 | SMILES: | FC(F)(F)Oc1ccc(cc1)CC(N)C(=O)O | InChi: | InChI=1S/C10H10F3NO3/c11-10(12,13)17-7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | Definition date: | 2021-06-02 | Last modified: | 2024-09-27 | Release date: | 2021-09-29 | Identifier: | O-(trifluoromethyl)-L-tyrosine |
|
| 05W | Name: | (2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol | Formula: | C9 H21 N O2 | SMILES: | CC(C)C[CH](N)[CH](O)[CH](C)CO | InChi: | InChI=1S/C9H21NO2/c1-6(2)4-8(10)9(12)7(3)5-11/h6-9,11-12H,4-5,10H2,1-3H3/t7-,8+,9+/m1/s1 | Definition date: | 2012-12-10 | Last modified: | 2024-09-27 | Release date: | 2014-02-12 | Identifier: | (2R,3S,4S)-4-azanyl-2,6-dimethyl-heptane-1,3-diol |
|
| 05Y | Name: | ~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide | Formula: | C17 H18 N4 O | SMILES: | CCC(=O)Nc1nc2ccccc2n1CCc3ccccn3 | InChi: | InChI=1S/C17H18N4O/c1-2-16(22)20-17-19-14-8-3-4-9-15(14)21(17)12-10-13-7-5-6-11-18-13/h3-9,11H,2,10,12H2,1H3,(H,19,20,22) | Definition date: | 2021-06-03 | Last modified: | 2024-09-27 | Release date: | 2022-04-06 | Identifier: | ~{N}-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]propanamide |
|
| 060 | Name: | S-methyl-D-cysteine | Formula: | C4 H9 N O2 S | SMILES: | O=C(O)C(N)CSC | InChi: | InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1 | Definition date: | 2013-01-25 | Last modified: | 2024-09-27 | Release date: | 2013-03-20 | Identifier: | S-methyl-D-cysteine |
|