 | | 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 |
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 | | 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 |
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 | | ICY | | Name: | S-(2-iodobenzyl)-L-cysteine | | Formula: | C10 H12 I N O2 S | | SMILES: | Ic1ccccc1CSCC(C(=O)O)N | | InChi: | InChI=1S/C10H12INO2S/c11-8-4-2-1-3-7(8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 2011-02-16 | | Last modified: | 2024-09-27 | | Identifier: | S-(2-iodobenzyl)-L-cysteine |
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 | | 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 |
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 | | Z22 | | Name: | S-methyl methanesulfonothioate | | Formula: | C2 H6 O2 S2 | | SMILES: | CS[S](C)(=O)=O | | InChi: | InChI=1S/C2H6O2S2/c1-5-6(2,3)4/h1-2H3 | | Synonyms: | S-Methyl methanethiosulfonate | | Definition date: | 2009-11-18 | | Last modified: | 2024-09-27 | | Identifier: | methylsulfanylsulfonylmethane |
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 | | Z3E | | Name: | O-benzyl-L-threonine | | Formula: | C11 H15 N O3 | | SMILES: | O=C(O)C(N)C(OCc1ccccc1)C | | InChi: | InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1 | | Definition date: | 2010-10-27 | | Last modified: | 2024-09-27 | | Identifier: | O-benzyl-L-threonine |
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 | | IF6 | | Name: | (1R,2S,3R,4S,5S,6R)-7-(8-AZIDOOCTYL)-3,4,5-TRIHYDROXY- | | Formula: | C15 H29 N4 O6 | | SMILES: | O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O | | InChi: | InChI=1S/C15H28N4O6.H2/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21 | | Definition date: | 2016-03-22 | | Last modified: | 2024-09-27 | | Release date: | 2017-04-12 | | Identifier: | (1S,2R,3S,4S,5S,6R)-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid; hydrogen |
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 | | XXA | | Name: | 2,4,5-trideoxy-2-(methylamino)-4-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid | | Formula: | C11 H19 N O3 | | SMILES: | O=C(O)C(NC)C(O)C(C/C=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-[(2E)-penta-2,4-dien-1-yl]-L-xylonic acid |
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 | | ZQN | | Name: | N-(TERT-BUTYLOXYCARBONYL)-VALINE | | Formula: | C10 H19 N O4 | | SMILES: | CC(C)[CH](NC(=O)OC(C)(C)C)C(O)=O | | InChi: | InChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1 | | Synonyms: | N-BOC-VALINE | | Definition date: | 2024-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2024-05-29 | | Identifier: | 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
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 | | FMU | | Name: | 5-FLUORO-5-METHYLURIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H16 F N2 O9 P | | SMILES: | O=C1N(CC(F)(C(=O)N1)C)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H16FN2O9P/c1-10(11)3-13(9(17)12-8(10)16)7-6(15)5(14)4(22-7)2-21-23(18,19)20/h4-7,14-15H,2-3H2,1H3,(H,12,16,17)(H2,18,19,20)/t4-,5-,6-,7-,10+/m1/s1 | | Definition date: | 2005-01-06 | | Last modified: | 2024-09-27 | | Identifier: | 5-fluoro-5-methyluridine 5'-(dihydrogen phosphate) |
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 | | IGL | | Name: | ALPHA-AMINO-2-INDANACETIC ACID | | Formula: | C11 H13 N O2 | | SMILES: | O=C(O)C(N)C2Cc1ccccc1C2 | | InChi: | InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-amino(2,3-dihydro-1H-inden-2-yl)ethanoic acid |
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 | | 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 |
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 | | 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 |
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 | | IIL | | Name: | ISO-ISOLEUCINE | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)C(N)C(C)CC | | InChi: | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m1/s1 | | Synonyms: | ALLO-ISOLEUCINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | L-alloisoleucine |
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 | | 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 |
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 | | 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 |
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 | | FP9 | | Name: | (4R)-4-fluoro-L-proline | | Formula: | C5 H8 F N O2 | | SMILES: | O=C(O)C1NCC(F)C1 | | InChi: | InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 | | Definition date: | 2009-08-18 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-fluoro-L-proline |
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 | | FPK | | Name: | 1-formyl-L-proline | | Formula: | C6 H9 N O3 | | SMILES: | O=CN1C(C(=O)O)CCC1 | | InChi: | InChI=1S/C6H9NO3/c8-4-7-3-1-2-5(7)6(9)10/h4-5H,1-3H2,(H,9,10)/t5-/m0/s1 | | Definition date: | 2012-10-08 | | Last modified: | 2024-09-27 | | Release date: | 2013-05-29 | | Identifier: | 1-formyl-L-proline |
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 | | 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 |
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 | | 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 |
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 | | IL0 | | Name: | (2S,3S)-2-amino-3-methylpentane-1,1-diol | | Formula: | C6 H15 N O2 | | SMILES: | OC(O)C(N)C(C)CC | | InChi: | InChI=1S/C6H15NO2/c1-3-4(2)5(7)6(8)9/h4-6,8-9H,3,7H2,1-2H3/t4-,5-/m0/s1 | | Definition date: | 2011-02-18 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3S)-2-amino-3-methylpentane-1,1-diol |
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 | | ILM | | Name: | methyl L-isoleucinate | | Formula: | C7 H15 N O2 | | SMILES: | O=C(OC)C(N)C(CC)C | | InChi: | InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1 | | Definition date: | 2013-07-30 | | Last modified: | 2024-09-27 | | Release date: | 2014-05-07 | | Identifier: | methyl L-isoleucinate |
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 | | ILX | | Name: | 4,5-DIHYDROXYISOLEUCINE | | Formula: | C6 H13 N O4 | | SMILES: | O=C(O)C(N)C(C)C(O)CO | | InChi: | InChI=1S/C6H13NO4/c1-3(4(9)2-8)5(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1 | | Definition date: | 2001-10-29 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3R,4R)-2-amino-4,5-dihydroxy-3-methylpentanoic acid (non-preferred name) |
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 | | 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 |
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 | | FSL | | Name: | (2R)-2-phenylbutanedioic acid | | Formula: | C10 H10 O4 | | SMILES: | O=C(O)C(c1ccccc1)CC(=O)O | | InChi: | InChI=1S/C10H10O4/c11-9(12)6-8(10(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)(H,13,14)/t8-/m1/s1 | | Definition date: | 2014-07-23 | | Last modified: | 2024-09-27 | | Release date: | 2014-08-20 | | Identifier: | (2R)-2-phenylbutanedioic acid |
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