 | | 7MD | | Name: | 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine | | Formula: | C17 H27 N8 O9 P | | SMILES: | O=C(O)CC(N)C(=O)NP(=O)(OCCCN)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C17H27N8O9P/c18-2-1-3-32-35(31,24-16(30)8(19)4-10(26)27)33-5-9-12(28)13(29)17(34-9)25-7-23-11-14(20)21-6-22-15(11)25/h6-9,12-13,17,28-29H,1-5,18-19H2,(H,26,27)(H2,20,21,22)(H,24,30,31)/t8-,9+,12+,13+,17+,35+/m0/s1 | | Definition date: | 2011-09-11 | | Last modified: | 2024-10-07 | | Identifier: | 5'-O-[(R)-(3-aminopropoxy)(L-alpha-aspartylamino)phosphoryl]adenosine |
|
 | | XL3 | | Name: | propane-1-thiol | | Formula: | C3 H8 S | | SMILES: | SCCC | | InChi: | InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 | | Definition date: | 2007-12-20 | | Last modified: | 2024-09-27 | | Identifier: | propane-1-thiol |
|
 | | ZAL | | Name: | 3-cyclohexyl-D-alanine | | Formula: | C9 H17 N O2 | | SMILES: | O=C(O)C(N)CC1CCCCC1 | | InChi: | InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1 | | Definition date: | 2009-01-26 | | Last modified: | 2024-09-27 | | Identifier: | 3-cyclohexyl-D-alanine |
|
 | | YCP | | Name: | (2S)-piperidine-2-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | OC(=O)[CH]1CCCCN1 | | InChi: | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 | | Definition date: | 2010-01-07 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-piperidine-2-carboxylic acid |
|
 | | YPP | | Name: | Hydrolyzed piperacillin | | Formula: | C23 H29 N5 O8 S | | SMILES: | O=C(NC(C(=O)O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)NC(=O)N3C(=O)C(=O)N(CC)CC3 | | InChi: | InChI=1S/C23H29N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-9,13-15,17,26H,4,10-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t13-,14+,15+,17-/m1/s1 | | Synonyms: | (2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Definition date: | 2011-01-06 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
|
 | | ZBZ | | Name: | S-(phenylcarbonyl)-L-cysteine | | Formula: | C10 H11 N O3 S | | SMILES: | O=C(O)C(N)CSC(=O)c1ccccc1 | | InChi: | InChI=1S/C10H11NO3S/c11-8(9(12)13)6-15-10(14)7-4-2-1-3-5-7/h1-5,8H,6,11H2,(H,12,13)/t8-/m0/s1 | | Definition date: | 2010-02-09 | | Last modified: | 2024-09-27 | | Identifier: | S-benzoyl-L-cysteine |
|
 | | ZUK | | Name: | 5-pyrimidin-2-yl-D-norvaline | | Formula: | C9 H13 N3 O2 | | SMILES: | O=C(O)C(N)CCCc1ncccn1 | | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1 | | Definition date: | 2009-07-31 | | Last modified: | 2024-09-27 | | Identifier: | 5-pyrimidin-2-yl-D-norvaline |
|
 | | ZGL | | Name: | D-alpha-glutamine | | Formula: | C5 H10 N2 O3 | | SMILES: | O=C(N)C(N)CCC(=O)O | | InChi: | InChI=1S/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)/t3-/m1/s1 | | Synonyms: | Iso-D-glutamine | | Definition date: | 2011-10-27 | | Last modified: | 2024-09-27 | | Identifier: | D-alpha-glutamine |
|
 | | XPC | | Name: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid | | Formula: | C5 H10 N2 O2 | | SMILES: | O=C(O)C1CNCC1N | | InChi: | InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1 | | Synonyms: | (3R,4S)-3-Aminopyrrolidine-4-carboxylic acid | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S,4R)-4-aminopyrrolidine-3-carboxylic acid |
|
 | | XPL | | Name: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine | | Formula: | C12 H24 N4 O3 | | SMILES: | O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C | | InChi: | InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1 | | Synonyms: | 4-amino reduced pyrrolysine | | Definition date: | 2014-07-30 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
|
 | | XPM | | Name: | tetradecylpropanedioic acid | | Formula: | C17 H32 O4 | | SMILES: | O=C(O)C(C(=O)O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2011-10-05 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | tetradecylpropanedioic acid |
|
 | | ZYJ | | Name: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | | Definition date: | 2010-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
|
 | | ZYK | | Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O6 | | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | | Synonyms: | 3,4-dimethoxybenzamidoxy proline | | Definition date: | 2010-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
|
 | | DDZ | | Name: | 3,3-DIHYDROXY L-ALANINE | | Formula: | C3 H7 N O4 | | SMILES: | O=C(O)C(N)C(O)O | | InChi: | InChI=1S/C3H7NO4/c4-1(2(5)6)3(7)8/h1-2,5-6H,4H2,(H,7,8)/t1-/m0/s1 | | Synonyms: | 3-HYDROXY-L-SERINE | | Definition date: | 2000-06-06 | | Last modified: | 2024-09-27 | | Identifier: | 3-hydroxy-L-serine |
|
 | | XCN | | Name: | S-cyano-L-cysteine | | Formula: | C4 H6 N2 O2 S | | SMILES: | O=C(O)C(N)CSC#N | | InChi: | InChI=1S/C4H6N2O2S/c5-2-9-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)/t3-/m0/s1 | | Definition date: | 2010-09-21 | | Last modified: | 2024-09-27 | | Identifier: | S-cyano-L-cysteine |
|
 | | XCP | | Name: | (1S,2S)-2-aminocyclopentanecarboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCC1N | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-2-aminocyclopentanecarboxylic acid |
|
 | | XD1 | | Name: | (2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | | Formula: | C8 H14 N2 O3 S | | SMILES: | O=C(O)C1NC(SC1(C)C)C(N)C=O | | InChi: | InChI=1S/C8H14N2O3S/c1-8(2)5(7(12)13)10-6(14-8)4(9)3-11/h3-6,10H,9H2,1-2H3,(H,12,13)/t4-,5+,6-/m1/s1 | | Synonyms: | 6-aminopenicillian, bound form | | Definition date: | 2010-06-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R,4S)-2-[(1R)-1-amino-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
|
 | | ZZU | | Name: | (2S,3S)-3-HYDROXYARGININE | | Formula: | C6 H14 N4 O3 | | SMILES: | O=C(O)C(N)C(O)CCNC(=[N@H])N | | InChi: | InChI=1S/C6H14N4O3/c7-4(5(12)13)3(11)1-2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1 | | Definition date: | 2009-03-02 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-2-amino-5-carbamimidamido-3-hydroxypentanoic acid (non-preferred name) |
|
 | | XSN | | Name: | L-alpha-asparagine | | Formula: | C4 H8 N2 O3 | | SMILES: | O=C(N)C(N)CC(=O)O | | InChi: | InChI=1S/C4H8N2O3/c5-2(4(6)9)1-3(7)8/h2H,1,5H2,(H2,6,9)(H,7,8)/t2-/m0/s1 | | Definition date: | 2011-05-13 | | Last modified: | 2024-09-27 | | Identifier: | L-alpha-asparagine |
|
 | | DG9 | | Name: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine | | Formula: | C27 H48 N9 O12 P S2 | | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)C(C)C | | InChi: | InChI=1S/C27H48N9O12PS2/c1-14(2)18(28)16(50-8-7-30-17(37)5-6-31-25(41)22(40)27(3,4)11-47-49(42,43)44)10-51(45,46)35-9-15-20(38)21(39)26(48-15)36-13-34-19-23(29)32-12-33-24(19)36/h12-16,18,20-22,26,35,38-40H,5-11,28H2,1-4H3,(H,30,37)(H,31,41)(H2,29,32,33)(H2,42,43,44)/t15-,16+,18-,20-,21-,22+,26-/m1/s1 | | Definition date: | 2012-01-30 | | Last modified: | 2024-09-27 | | Identifier: | 5'-{[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentane-1-sulfonyl]amino}-5'-deoxyadenosine |
|
 | | YYA | | Name: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid | | Formula: | C11 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(CC=C/C=C)C | | InChi: | InChI=1S/C11H19NO3/c1-4-5-6-7-8(2)10(13)9(12-3)11(14)15/h4-6,8-10,12-13H,1,7H2,2-3H3,(H,14,15)/b6-5-/t8-,9+,10-/m1/s1 | | Definition date: | 2010-11-19 | | Last modified: | 2024-09-27 | | Identifier: | 2,4,5-trideoxy-2-(methylamino)-4-[(2Z)-penta-2,4-dien-1-yl]-L-xylonic acid |
|
 | | TCO | | Name: | TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE | | Formula: | C13 H23 N O3 | | SMILES: | O=C(OC(C)(C)C)NC(C=O)C1CCCCC1 | | InChi: | InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h9-11H,4-8H2,1-3H3,(H,14,16)/t11-/m1/s1 | | Definition date: | 2003-08-29 | | Last modified: | 2024-09-27 | | Identifier: | tert-butyl [(1S)-1-cyclohexyl-2-oxoethyl]carbamate |
|
 | | DHK | | Name: | 3-DEHYDROSHIKIMATE | | Formula: | C7 H10 O5 | | SMILES: | O=C(O)C1C=C(O)C(O)C(O)C1 | | InChi: | InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,3,5-6,8-10H,2H2,(H,11,12)/t3-,5-,6-/m1/s1 | | Definition date: | 2002-01-22 | | Last modified: | 2024-09-27 | | Identifier: | (1S,4S,5R)-3,4,5-trihydroxycyclohex-2-ene-1-carboxylic acid |
|
 | | YLL | | Name: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL | | Formula: | C7 H14 O6 | | SMILES: | OC1C(C(O)C(O)C(O)C1O)CO | | InChi: | InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1 | | Definition date: | 2006-11-29 | | Last modified: | 2024-09-27 | | Identifier: | (1R,2S,3S,4S,5R,6R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol |
|
 | | DI7 | | Name: | 2,6-dimethyl-L-tyrosine | | Formula: | C11 H15 N O3 | | SMILES: | O=C(O)C(N)Cc1c(cc(O)cc1C)C | | InChi: | InChI=1S/C11H15NO3/c1-6-3-8(13)4-7(2)9(6)5-10(12)11(14)15/h3-4,10,13H,5,12H2,1-2H3,(H,14,15)/t10-/m0/s1 | | Definition date: | 2014-12-10 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | 2,6-dimethyl-L-tyrosine |
|
