 | | AFN | | Name: | 8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1 | | Formula: | C17 H14 O7 | | SMILES: | O=C5C=4C(=O)Oc3c1c(OC2OCC(O)C12)cc(OC)c3C=4CC5 | | InChi: | InChI=1S/C17H14O7/c1-21-9-4-10-14(13-8(19)5-22-17(13)23-10)15-12(9)6-2-3-7(18)11(6)16(20)24-15/h4,8,13,17,19H,2-3,5H2,1H3/t8-,13-,17+/m0/s1 | | Definition date: | 2003-01-03 | | Last modified: | 2011-06-04 | | Identifier: | (6aR,9R,9aR)-9-hydroxy-4-methoxy-2,3,6a,8,9,9a-hexahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione |
|
 | | AGF | | Name: | O-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-L-PHENYLLACTATE | | Formula: | C21 H25 N2 O8 P | | SMILES: | O=C(O)C(OP(=O)(O)CNC(=O)C(NC(=O)OCc1ccccc1)C)Cc2ccccc2 | | InChi: | InChI=1S/C21H25N2O8P/c1-15(23-21(27)30-13-17-10-6-3-7-11-17)19(24)22-14-32(28,29)31-18(20(25)26)12-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t15-,18-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-{[(R)-[({N-[(benzyloxy)carbonyl]-L-alanyl}amino)methyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoic acid |
|
 | | AHC | | Name: | 4-AMINOHYDROCINNAMIC ACID | | Formula: | C9 H11 N O2 | | SMILES: | O=C(O)CCc1ccc(N)cc1 | | InChi: | InChI=1S/C9H11NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6,10H2,(H,11,12) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 3-(4-aminophenyl)propanoic acid |
|
 | | AHF | | Name: | 2-[4-(HYDROXY-METHOXY-METHYL)-BENZYL]-7-(4-HYDROXYMETHYL-BENZYL)-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1LAMBDA6-[1,2,7]THIADIAZEPANE-4,5-DIOL | | Formula: | C35 H40 N2 O9 S | | SMILES: | O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccc(cc1)C(O)OC)COc3ccccc3)COc4ccccc4)Cc5ccc(cc5)CO | | InChi: | InChI=1S/C35H40N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-35,38-41H,20-24H2,1H3/t31-,32-,33+,34+,35+/m1/s1 | | Definition date: | 2000-11-02 | | Last modified: | 2011-06-04 | | Identifier: | (3R,4S,5S,6R)-2-{4-[(S)-hydroxy(methoxy)methyl]benzyl}-7-[4-(hydroxymethyl)benzyl]-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-4,5-diol 1,1-dioxide |
|
 | | AHX | | Name: | SERYL-HYDROXAMATE-ADENOSINE MONOPHOSPHATE | | Formula: | C13 H20 N7 O9 P | | SMILES: | O=P(O)(ONC(=O)C(N)CO)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C13H20N7O9P/c14-5(1-21)12(24)19-29-30(25,26)27-2-6-8(22)9(23)13(28-6)20-4-18-7-10(15)16-3-17-11(7)20/h3-6,8-9,13,21-23H,1-2,14H2,(H,19,24)(H,25,26)(H2,15,16,17)/t5-,6+,8+,9+,13+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-{(S)-hydroxy[(L-serylamino)oxy]phosphoryl}adenosine |
|
 | | AIK | | Name: | N-[3-(DIMETHYLAMINO)PROPYL]-2-({[4-({[4-(FORMYLAMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-1-METHYL-1H-PYRROL-2-YL]CARBONYL}AMINO)-5-ISOPROPYL-1,3-THIAZOLE-4-CARBOXAMIDE | | Formula: | C25 H34 N8 O4 S | | SMILES: | O=C(Nc1nc(C(=O)NCCCN(C)C)c(s1)C(C)C)c3cc(NC(=O)c2cc(NC=O)cn2C)cn3C | | InChi: | InChI=1S/C25H34N8O4S/c1-15(2)21-20(24(37)26-8-7-9-31(3)4)29-25(38-21)30-23(36)19-11-17(13-33(19)6)28-22(35)18-10-16(27-14-34)12-32(18)5/h10-15H,7-9H2,1-6H3,(H,26,37)(H,27,34)(H,28,35)(H,29,30,36) | | Definition date: | 2003-12-05 | | Last modified: | 2011-06-04 | | Identifier: | N-[3-(dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-1-methyl-1H-pyrrol-2-yl]carbonyl}amino)-5-(1-methylethyl)-1,3-thiazole-4-carboxamide |
|
 | | AJH | | Name: | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid | | Formula: | C23 H24 F3 N3 O4 | | SMILES: | O=C(N2CCCN(C(=O)c1ccc(C(=O)O)cc1)CC2)CC(N)Cc3cc(F)c(F)cc3F | | InChi: | InChI=1S/C23H24F3N3O4/c24-18-13-20(26)19(25)11-16(18)10-17(27)12-21(30)28-6-1-7-29(9-8-28)22(31)14-2-4-15(5-3-14)23(32)33/h2-5,11,13,17H,1,6-10,12,27H2,(H,32,33)/t17-/m1/s1 | | Definition date: | 2008-09-25 | | Last modified: | 2011-06-04 | | Identifier: | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid |
|
 | | 1ZT | | Name: | N-acetyl-L-cysteine | | Formula: | C5 H9 N O3 S | | SMILES: | O=C(NC(C(=O)O)CS)C | | InChi: | InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1 | | Definition date: | 2008-08-27 | | Last modified: | 2010-03-29 | | Identifier: | N-acetyl-L-cysteine |
|
 | | ASI | | Name: | L-ISO-ASPARTATE | | Formula: | C4 H6 N O4 | | SMILES: | [O-]C(=O)C(N)CC(=O)O | | InChi: | InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1/t2-/m0/s1/fC4H6NO4/h6H/q-1 | | Definition date: | 2000-01-21 | | Last modified: | 2009-12-23 | | Identifier: | (2S)-2-amino-3-carboxypropanoate |
|
 | | INT | | Name: | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]-VALINYL-[PHENYL-1-HYDROXYPROP-2-YL]-AMINE | | Formula: | C25 H33 N3 O5 | | SMILES: | O=C(NC(Cc1ccccc1)CO)C(NC(=O)C(NC(=O)OCc2ccccc2)C)C(C)C | | InChi: | InChI=1/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1/f/h26-28H | | Synonyms: | TL-3-093 | | Definition date: | 1999-07-08 | | Last modified: | 2009-12-09 | | Identifier: | N-[(benzyloxy)carbonyl]-L-alanyl-N-[(1S)-1-benzyl-2-hydroxyethyl]-L-valinamide |
|
 | | IOH | | Name: | 2-PROPANOL, ISOPROPANOL | | Formula: | C3 H8 O | | SMILES: | OC(C)C | | InChi: | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | | Definition date: | 1999-07-08 | | Last modified: | 2009-10-02 | | Identifier: | propan-2-ol |
|
 | | 2SP | | Name: | (1S)-2-(PHOSPHONOOXY)-1-[(STEAROYLOXY)METHYL]ETHYL STEARATE | | Formula: | C39 H77 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)O | | InChi: | InChI=1/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/t37-/m1/s1/f/h42-43H | | Definition date: | 2003-06-27 | | Last modified: | 2009-09-09 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl dioctadecanoate |
|
 | | MH1 | | Name: | 1-methyl-L-histidine | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C | | InChi: | InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H | | Definition date: | 2009-02-26 | | Last modified: | 2009-08-17 | | Identifier: | 1-methyl-L-histidine |
|
 | | STY | | Name: | TYROSINE-O-SULPHONIC ACID | | Formula: | C9 H11 N O6 S | | SMILES: | O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)N)O | | InChi: | InChI=1/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1/f/h11,13H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | O-sulfo-L-tyrosine |
|
 | | BTC | | Name: | CYSTEINE | | Formula: | C3 H7 N O2 S | | SMILES: | O=C(O)C(N)CS | | InChi: | InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H | | Synonyms: | BIS-TRIS BUFFER | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | L-cysteine |
|
 | | NEM | | Name: | NE2-METHYLATED HISTIDINE | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C | | InChi: | InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H | | Definition date: | 1999-07-19 | | Last modified: | 2009-01-07 | | Identifier: | 1-methyl-L-histidine |
|
 | | PVL | | Name: | PYRUVOYL GROUP | | Formula: | C3 H4 O2 | | SMILES: | O=CC(=O)C | | InChi: | InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3 | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | 2-oxopropanal |
|
 | | LTR | | Name: | L-TRYPTOPHAN | | Formula: | C11 H12 N2 O2 | | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2 | | InChi: | InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/f/h14H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | L-tryptophan |
|
 | | SEG | | Name: | HYDROXYALANINE | | Formula: | C3 H7 N O3 | | SMILES: | O=C(O)C(N)CO | | InChi: | InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/f/h6H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | L-serine |
|
 | | TPH | | Name: | 2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP | | Formula: | C9 H13 N O2 | | SMILES: | OC(O)C(N)Cc1ccccc1 | | InChi: | InChI=1/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | (2S)-2-amino-3-phenylpropane-1,1-diol |
|
 | | CAY | | Name: | CARBOXYMETHYLENECYSTEINE | | Formula: | C5 H9 N O4 S | | SMILES: | O=C(O)C(N)CSCC(=O)O | | InChi: | InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/f/h7,9H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | S-(carboxymethyl)-L-cysteine |
|
 | | PDL | | Name: | N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1/f/h15,17-18H | | Definition date: | 2002-03-18 | | Last modified: | 2009-01-07 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine |
|
 | | CEA | | Name: | S-HYDROXY-CYSTEINE | | Formula: | C3 H7 N O3 S | | SMILES: | O=C(O)C(N)CSO | | InChi: | InChI=1/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1/f/h5H | | Synonyms: | CYSTEINE SULFENIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | S-hydroxy-L-cysteine |
|
 | | TY3 | | Name: | 3-HYDROXY-L-TYROSINE | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(O)cc1 | | InChi: | InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/f/h13H | | Definition date: | 2007-11-17 | | Last modified: | 2009-01-07 | | Identifier: | 3-hydroxy-L-tyrosine |
|
 | | CS0 | | Name: | S-(2-HYDROXYETHYL)-L-CYSTEINE | | Formula: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CSCCO | | InChi: | InChI=1/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H | | Definition date: | 2008-03-25 | | Last modified: | 2009-01-07 | | Identifier: | S-(2-hydroxyethyl)-L-cysteine |
|
