 | DM0 | Name: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine | Formula: | C10 H22 N2 O2 | SMILES: | O=C(O)C(N(C)C)CCCCN(C)C | InChi: | InChI=1S/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1 | Definition date: | 2008-03-25 | Last modified: | 2024-09-27 | Identifier: | N~2~,N~2~,N~6~,N~6~-tetramethyl-L-lysine |
|
 | DMT | Name: | 3-HYDROXY-4,4-DIMETHYL-2-(METHYLAMINO)-6-OCTENOIC ACID | Formula: | C11 H21 N O3 | SMILES: | O=C(O)C(NC)C(O)C(C/C=C/C)(C)C | InChi: | InChI=1S/C11H21NO3/c1-5-6-7-11(2,3)9(13)8(12-4)10(14)15/h5-6,8-9,12-13H,7H2,1-4H3,(H,14,15)/b6-5+/t8-,9-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 4-[(2E)-but-2-en-1-yl]-2,4,5-trideoxy-4-methyl-2-(methylamino)-D-arabinonic acid |
|
 | DNG | Name: | N-FORMYL-D-NORLEUCINE | Formula: | C7 H13 N O3 | SMILES: | O=CNC(C(=O)O)CCCC | InChi: | InChI=1S/C7H13NO3/c1-2-3-4-6(7(10)11)8-5-9/h5-6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m1/s1 | Definition date: | 2004-01-27 | Last modified: | 2024-09-27 | Identifier: | N-formyl-D-norleucine |
|
 | DNM | Name: | N-methyl-D-norleucine | Formula: | C7 H15 N O2 | SMILES: | C(C(NC)CCCC)(=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-/m1/s1 | Definition date: | 2003-11-17 | Last modified: | 2024-09-27 | Identifier: | N-methyl-D-norleucine |
|
 | DO2 | Name: | 5,5-dihydroxy-6-oxo-L-norleucine | Formula: | C6 H11 N O5 | SMILES: | O=CC(O)(O)CCC(N)C(=O)O | InChi: | InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1 | Definition date: | 2000-01-07 | Last modified: | 2024-09-27 | Identifier: | 5,5-dihydroxy-6-oxo-L-norleucine |
|
 | FUF | Name: | 2-deoxy-2-fluoro-beta-L-fucopyranose | Formula: | C6 H11 F O4 | SMILES: | FC1C(O)C(O)C(OC1O)C | InChi: | InChI=1S/C6H11FO4/c1-2-4(8)5(9)3(7)6(10)11-2/h2-6,8-10H,1H3/t2-,3-,4+,5-,6-/m0/s1 | Synonyms: | 2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE | Definition date: | 2003-03-14 | Last modified: | 2024-09-27 | Identifier: | 2,6-dideoxy-2-fluoro-beta-L-galactopyranose |
|
 | FVA | Name: | N-formyl-L-valine | Formula: | C6 H11 N O3 | SMILES: | O=CNC(C(=O)O)C(C)C | InChi: | InChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1 | Definition date: | 2011-04-28 | Last modified: | 2024-09-27 | Identifier: | N-formyl-L-valine |
|
 | FZN | Name: | (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid | Formula: | C23 H37 N7 O15 P2 S | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(SC(=N/CCCCC(C(=O)O)N)C)C(O)C4O | InChi: | InChI=1S/C23H37N7O15P2S/c1-10(26-5-3-2-4-11(24)22(35)36)48-23-18(34)16(32)13(44-23)7-42-47(39,40)45-46(37,38)41-6-12-15(31)17(33)21(43-12)30-9-29-14-19(25)27-8-28-20(14)30/h8-9,11-13,15-18,21,23,31-34H,2-7,24H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H2,25,27,28)/b26-10-/t11-,12+,13+,15+,16+,17+,18+,21+,23+/m0/s1 | Definition date: | 2008-06-18 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid (non-preferred name) |
|
 | GAF | Name: | 2-deoxy-2-fluoro-alpha-D-galactopyranose | Formula: | C6 H11 F O5 | SMILES: | FC1C(O)C(O)C(OC1O)CO | InChi: | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | Synonyms: | 2-DEOXY-2-FLUORO-GALACTOSE | Definition date: | 2004-02-11 | Last modified: | 2024-09-27 | Identifier: | 2-deoxy-2-fluoro-alpha-D-galactopyranose |
|
 | 1RG | Name: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid | Formula: | C22 H27 N3 O7 S | SMILES: | O=C(O)c1cc(ccc1)NC(=O)C3NCC(SC2=C(C(=O)O)NC(C2C)C(C=O)C(O)C)C3 | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-4-12(6-13)21(29)30/h3-6,9-11,14-17,23,25,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16+,17-/m1/s1 | Synonyms: | ERTAPENEM, bound form PRE-ISOMERIZED | Definition date: | 2009-10-19 | Last modified: | 2024-09-27 | Identifier: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
|
 | 1S7 | Name: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | Formula: | C15 H16 N2 O5 S2 | SMILES: | O=CC(OC)(NC(=O)Cc1sccc1)C2N=C(C(=O)O)C(=C)CS2 | InChi: | InChI=1S/C15H16N2O5S2/c1-9-7-24-14(16-12(9)13(20)21)15(8-18,22-2)17-11(19)6-10-4-3-5-23-10/h3-5,8,14H,1,6-7H2,2H3,(H,17,19)(H,20,21)/t14-,15+/m1/s1 | Synonyms: | Cefoxitin, bound form | Definition date: | 2013-05-15 | Last modified: | 2024-09-27 | Release date: | 2014-10-29 | Identifier: | (2R)-2-{(1S)-1-methoxy-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
|
 | 1VR | Name: | (3R)-3-amino-4-methylpentanoic acid | Formula: | C6 H13 N O2 | SMILES: | O=C(O)CC(N)C(C)C | InChi: | InChI=1S/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m1/s1 | Synonyms: | beta-3-homovaline | Definition date: | 2013-06-21 | Last modified: | 2024-09-27 | Release date: | 2013-09-04 | Identifier: | (3R)-3-amino-4-methylpentanoic acid |
|
 | GM8 | Name: | (2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid | Formula: | C10 H19 N O2 | SMILES: | O=C(O)C(CC)C1CCCCC1N | InChi: | InChI=1S/C10H19NO2/c1-2-7(10(12)13)8-5-3-4-6-9(8)11/h7-9H,2-6,11H2,1H3,(H,12,13)/t7-,8-,9-/m0/s1 | Definition date: | 2012-10-29 | Last modified: | 2024-09-27 | Release date: | 2013-06-12 | Identifier: | (2S)-2-[(1S,2S)-2-aminocyclohexyl]butanoic acid |
|
 | GYV | Name: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose | Formula: | C9 H16 N2 O7 | SMILES: | O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)N | InChi: | InChI=1S/C9H16N2O7/c1-3(13)11-5-7(15)6(14)4(2-12)17-8(5)18-9(10)16/h4-8,12,14-15H,2H2,1H3,(H2,10,16)(H,11,13)/t4-,5-,6-,7-,8-/m1/s1 | Synonyms: | 2-(ACETYLAMINO)-1-O-CARBAMOYL-2-DEOXY-ALPHA-D-GLUCOPYRANOSE | Definition date: | 2010-01-26 | Last modified: | 2024-09-27 | Identifier: | 2-(acetylamino)-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose |
|
 | H14 | Name: | (2S,3R)-BETA-HYDROXY-PHENYLALANINE | Formula: | C9 H11 N O3 | SMILES: | O=C(O)C(N)C(O)c1ccccc1 | InChi: | InChI=1S/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1 | Synonyms: | BETA-HYDROXY-PHENYLALANINE | Definition date: | 2008-10-17 | Last modified: | 2024-09-27 | Release date: | 2012-12-21 | Identifier: | (betaR)-beta-hydroxy-L-phenylalanine |
|
 | H2V | Name: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate | Formula: | C13 H26 N3 O8 P S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CN | InChi: | InChI=1S/C13H26N3O8PS/c1-13(2,8-24-25(21,22)23)11(19)12(20)16-4-3-9(17)15-5-6-26-10(18)7-14/h11,19H,3-8,14H2,1-2H3,(H,15,17)(H,16,20)(H2,21,22,23)/t11-/m1/s1 | Synonyms: | S-glycyl-4'-phosphopantetheine | Definition date: | 2012-09-21 | Last modified: | 2024-09-27 | Release date: | 2013-03-06 | Identifier: | S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] aminoethanethioate |
|
 | H37 | Name: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide | Formula: | C25 H33 Cl N6 O3 | SMILES: | ClCC(=O)C(NC(=O)C(NC(=O)C(N)Cc1ccccc1)Cc2ccccc2)CCCNC(=[N@H])N | InChi: | InChI=1S/C25H33ClN6O3/c26-16-22(33)20(12-7-13-30-25(28)29)31-24(35)21(15-18-10-5-2-6-11-18)32-23(34)19(27)14-17-8-3-1-4-9-17/h1-6,8-11,19-21H,7,12-16,27H2,(H,31,35)(H,32,34)(H4,28,29,30)/t19-,20+,21+/m1/s1 | Synonyms: | FFRCK | Definition date: | 2010-11-09 | Last modified: | 2024-09-27 | Identifier: | D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide |
|
 | H5M | Name: | TRANS-3-HYDROXY-5-METHYLPROLINE | Formula: | C6 H11 N O3 | SMILES: | O=C(O)C1NC(C)CC1O | InChi: | InChI=1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4-,5-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (3S,5S)-3-hydroxy-5-methyl-L-proline |
|
 | HD0 | Name: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid | Formula: | C10 H12 N4 O4 | SMILES: | O=C(O)C(N1C(=O)CC(C1=O)N)Cc2ncnc2 | InChi: | InChI=1S/C10H12N4O4/c11-6-2-8(15)14(9(6)16)7(10(17)18)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,17,18)/t6-,7-/m0/s1 | Definition date: | 2010-11-01 | Last modified: | 2024-09-27 | Release date: | 2022-06-29 | Identifier: | (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid |
|
 | HF2 | Name: | (2R)-2-hydroxy-3-phenylpropanoic acid | Formula: | C9 H10 O3 | SMILES: | O=C(O)C(O)Cc1ccccc1 | InChi: | InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1 | Definition date: | 2010-07-12 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-hydroxy-3-phenylpropanoic acid |
|
 | HGL | Name: | (2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid | Formula: | C9 H12 N6 O3 | SMILES: | O=C(O)C(N)CCn1c2N=C(NC(=O)c2nc1)N | InChi: | InChI=1S/C9H12N6O3/c10-4(8(17)18)1-2-15-3-12-5-6(15)13-9(11)14-7(5)16/h3-4H,1-2,10H2,(H,17,18)(H3,11,13,14,16)/t4-/m0/s1 | Definition date: | 2008-02-12 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid |
|
 | HL2 | Name: | (2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid | Formula: | C6 H13 N O3 | SMILES: | O=C(O)C(N)C(O)C(C)C | InChi: | InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1 | Synonyms: | BETA-HYDROXYLEUCINE | Definition date: | 2010-07-12 | Last modified: | 2024-09-27 | Identifier: | (2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name) |
|
 | HLU | Name: | BETA-HYDROXYLEUCINE | Formula: | C6 H13 N O3 | SMILES: | O=C(O)C(N)C(O)C(C)C | InChi: | InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5-/m0/s1 | Definition date: | 2004-02-02 | Last modified: | 2024-09-27 | Identifier: | (2S,3S)-2-amino-3-hydroxy-4-methylpentanoic acid (non-preferred name) |
|
 | HNC | Name: | S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine | Formula: | C12 H23 N O4 S | SMILES: | O=C(O)C(N)CSC(C(O)CCCCC)CC=O | InChi: | InChI=1S/C12H23NO4S/c1-2-3-4-5-10(15)11(6-7-14)18-8-9(13)12(16)17/h7,9-11,15H,2-6,8,13H2,1H3,(H,16,17)/t9-,10+,11-/m0/s1 | Synonyms: | Cysteine covalently modified with 4-hydroxy-2-nonenal | Definition date: | 2009-09-17 | Last modified: | 2024-09-27 | Identifier: | S-[(3S,4R)-4-hydroxy-1-oxononan-3-yl]-L-cysteine |
|
 | HOV | Name: | ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate | Formula: | C32 H43 N5 O7 | SMILES: | CCOC(=O)CCC(NC(=O)C1N(CCC1c2ccccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4CCNC4=O | InChi: | InChI=1S/C32H43N5O7/c1-5-43-26(38)12-11-23(18-22-13-15-33-29(22)39)34-31(41)28-24(21-9-7-6-8-10-21)14-16-37(28)32(42)27(19(2)3)35-30(40)25-17-20(4)44-36-25/h6-10,17,19,22-24,27-28H,5,11-16,18H2,1-4H3,(H,33,39)(H,34,41)(H,35,40)/t22-,23+,24+,27-,28-/m0/s1 | Definition date: | 2016-02-25 | Last modified: | 2024-09-27 | Release date: | 2016-06-22 | Identifier: | N-(5-methyl-1,2-oxazole-3-carbonyl)-L-valyl-(3R)-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-3-phenyl-L-prolinamide |
|