 | | AT1 | | Name: | (S)-2-AMINO-3-(5-TERT-BUTYL-3-(PHOSPHONOMETHOXY)-4-ISOXAZOLYL)PROPIONIC ACID | | Formula: | C11 H19 N2 O7 P | | SMILES: | O=P(O)(O)COc1noc(c1CC(C(=O)O)N)C(C)(C)C | | InChi: | InChI=1S/C11H19N2O7P/c1-11(2,3)8-6(4-7(12)10(14)15)9(13-20-8)19-5-21(16,17)18/h7H,4-5,12H2,1-3H3,(H,14,15)(H2,16,17,18)/t7-/m0/s1 | | Definition date: | 2002-12-03 | | Last modified: | 2011-06-04 | | Identifier: | 3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]-L-alanine |
|
 | | 0A8 | | Name: | S-[(2-chloroethyl)carbamoyl]-L-cysteine | | Formula: | C6 H11 Cl N2 O3 S | | SMILES: | O=C(O)C(N)CSC(=O)NCCCl | | InChi: | InChI=1S/C6H11ClN2O3S/c7-1-2-9-6(12)13-3-4(8)5(10)11/h4H,1-3,8H2,(H,9,12)(H,10,11)/t4-/m0/s1 | | Definition date: | 2007-11-09 | | Last modified: | 2011-06-04 | | Identifier: | S-[(2-chloroethyl)carbamoyl]-L-cysteine |
|
 | | ATA | | Name: | ATRAZINE GLUTATHIONE CONJUGATE | | Formula: | C18 H30 N8 O6 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1nc(nc(n1)NC(C)C)NCC | | InChi: | InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | L-gamma-glutamyl-S-{4-(ethylamino)-6-[(1-methylethyl)amino]-1,3,5-triazin-2-yl}-L-cysteinylglycine |
|
 | | 0AH | | Name: | O-(bromoacetyl)-L-serine | | Formula: | C5 H8 Br N O4 | | SMILES: | BrCC(=O)OCC(C(=O)O)N | | InChi: | InChI=1S/C5H8BrNO4/c6-1-4(8)11-2-3(7)5(9)10/h3H,1-2,7H2,(H,9,10)/t3-/m0/s1 | | Definition date: | 2007-11-11 | | Last modified: | 2011-06-04 | | Identifier: | O-(bromoacetyl)-L-serine |
|
 | | ATO | | Name: | CHLOROACETONE | | Formula: | C3 H5 Cl O | | SMILES: | ClCC(=O)C | | InChi: | InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3 | | Definition date: | 1999-12-13 | | Last modified: | 2011-06-04 | | Identifier: | 1-chloropropan-2-one |
|
 | | 0AO | | Name: | (2S)-2-amino-3-naphthalen-1-ylpropanal | | Formula: | C13 H13 N O | | SMILES: | O=CC(N)Cc2cccc1ccccc12 | | InChi: | InChI=1S/C13H13NO/c14-12(9-15)8-11-6-3-5-10-4-1-2-7-13(10)11/h1-7,9,12H,8,14H2/t12-/m0/s1 | | Definition date: | 2007-11-11 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-amino-3-naphthalen-1-ylpropanal |
|
 | | ATT | | Name: | 2-[3-(5-MERCAPTO-[1,3,4]THIADIAZOL-2-YL)-UREIDO]-N-METHYL-3-PHENYL-PROPIONAMIDE | | Formula: | C13 H15 N5 O2 S2 | | SMILES: | O=C(Nc1nnc(S)s1)NC(C(=O)NC)Cc2ccccc2 | | InChi: | InChI=1S/C13H15N5O2S2/c1-14-10(19)9(7-8-5-3-2-4-6-8)15-11(20)16-12-17-18-13(21)22-12/h2-6,9H,7H2,1H3,(H,14,19)(H,18,21)(H2,15,16,17,20)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-methyl-Nalpha-[(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-L-phenylalaninamide |
|
 | | 0CL | | Name: | 1,3-dichloropropane | | Formula: | C3 H6 Cl2 | | SMILES: | ClCCCCl | | InChi: | InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2 | | Definition date: | 2009-02-17 | | Last modified: | 2011-06-04 | | Identifier: | 1,3-dichloropropane |
|
 | | P6C | | Name: | 2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID | | Formula: | C10 H11 N5 O2 | | SMILES: | O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N | | InChi: | InChI=1S/C10H11N5O2/c1-4(2)6-7-8(15-10(11)14-6)12-3-5(13-7)9(16)17/h3-4H,1-2H3,(H,16,17)(H2,11,12,14,15) | | Definition date: | 2002-09-27 | | Last modified: | 2011-06-04 | | Identifier: | 2-amino-4-(1-methylethyl)pteridine-6-carboxylic acid |
|
 | | 7PA | | Name: | PROPANE-1,3-DIYLBIS(PHOSPHONIC ACID) | | Formula: | C3 H10 O6 P2 | | SMILES: | O=P(O)(O)CCCP(=O)(O)O | | InChi: | InChI=1S/C3H10O6P2/c4-10(5,6)2-1-3-11(7,8)9/h1-3H2,(H2,4,5,6)(H2,7,8,9) | | Definition date: | 2007-02-08 | | Last modified: | 2011-06-04 | | Identifier: | propane-1,3-diylbis(phosphonic acid) |
|
 | | P9A | | Name: | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | | Formula: | C24 H29 N O7 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)CCC34CC2CC(OC2(C3)C)C45)C | | InChi: | InChI=1S/C24H29NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-4,12,15,20,26,29H,5-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1 | | Definition date: | 2009-03-06 | | Last modified: | 2011-06-04 | | Identifier: | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid |
|
 | | P9C | | Name: | 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | | Formula: | C30 H33 N O7 | | SMILES: | O=C(O)c1c(O)c(c(O)cc1)NC(=O)CCC3(C(=O)CC(c2ccccc2)C46C3C5OC(C)(C4)C(C5)C6)C | | InChi: | InChI=1S/C30H33NO7/c1-28(11-10-23(34)31-24-20(32)9-8-18(25(24)35)27(36)37)22(33)13-19(16-6-4-3-5-7-16)30-14-17-12-21(26(28)30)38-29(17,2)15-30/h3-9,17,19,21,26,32,35H,10-15H2,1-2H3,(H,31,34)(H,36,37)/t17-,19-,21+,26+,28-,29+,30+/m1/s1 | | Definition date: | 2009-01-30 | | Last modified: | 2011-06-04 | | Identifier: | 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid |
|
 | | PAJ | | Name: | PANTOYL ADENYLATE | | Formula: | C16 H24 N5 O10 P | | SMILES: | O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(O)C(C)(C)CO | | InChi: | InChI=1S/C16H24N5O10P/c1-16(2,4-22)11(25)15(26)31-32(27,28)29-3-7-9(23)10(24)14(30-7)21-6-20-8-12(17)18-5-19-13(8)21/h5-7,9-11,14,22-25H,3-4H2,1-2H3,(H,27,28)(H2,17,18,19)/t7-,9-,10-,11+,14-/m1/s1 | | Definition date: | 2002-11-07 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(R)-{[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]oxy}(hydroxy)phosphoryl]adenosine |
|
 | | PAN | | Name: | 5-PHOSPHO-D-ARABINOHYDROXAMIC ACID | | Formula: | C5 H12 N O9 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO | | InChi: | InChI=1S/C5H12NO9P/c7-2(1-15-16(12,13)14)3(8)4(9)5(10)6-11/h2-4,7-9,11H,1H2,(H,6,10)(H2,12,13,14)/t2-,3-,4+/m1/s1 | | Definition date: | 2002-01-02 | | Last modified: | 2011-06-04 | | Identifier: | 1-(hydroxyamino)-5-O-phosphono-D-arabinose |
|
 | | PAZ | | Name: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine | | Formula: | C9 H18 N O8 P | | SMILES: | O=P(OCC(C(O)C(=O)NCCC(=O)O)(C)C)(O)O | | InChi: | InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1 | | Definition date: | 2007-12-05 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine |
|
 | | PBB | | Name: | S-(4-BROMOBENZYL)CYSTEINE | | Formula: | C10 H12 Br N O2 S | | SMILES: | Brc1ccc(cc1)CSCC(C(=O)O)N | | InChi: | InChI=1S/C10H12BrNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | S-(4-bromobenzyl)-L-cysteine |
|
 | | PBZ | | Name: | P-AMINO BENZAMIDINE | | Formula: | C7 H10 N3 | | SMILES: | N/C(c1ccc(N)cc1)=[NH2+] | | InChi: | InChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | amino(4-aminophenyl)methaniminium |
|
 | | PC3 | | Name: | COPROPORPHYRIN I CONTAINING CO(III) | | Formula: | C36 H36 Co N4 O8 | | SMILES: | O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C6=Cc8c(c(c7C=C1N2[Co](n34)(N56)n78)C)CCC(=O)O)C)CCC(=O)O)C)CCC(=O)O)C | | InChi: | InChI=1S/C36H36N4O8.Co/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29 | | Definition date: | 2003-06-23 | | Last modified: | 2011-06-04 | | Identifier: | [3,3',3'',3'''-(3,8,13,18-tetramethyl-22,24-dihydroporphyrin-2,7,12,17-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(4-)]cobalt |
|
 | | 7T9 | | Name: | N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE | | Formula: | C17 H19 F N2 O2 S | | SMILES: | Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3 | | InChi: | InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1 | | Definition date: | 2010-06-14 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2S)-5-(6-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide |
|
 | | PCJ | | Name: | (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE | | Formula: | C54 H105 N O6 S | | SMILES: | O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCCC)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C54H105NO6S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-52(57)55-50(46-56)48-62-49-51(61-54(59)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-60-53(58)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h50-51,56H,4-49H2,1-3H3,(H,55,57)/t50-,51+/m0/s1 | | Definition date: | 2007-09-19 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-{[(2S)-2-(hexadecanoylamino)-3-hydroxypropyl]sulfanyl}propane-1,2-diyl dihexadecanoate |
|
 | | PD7 | | Name: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate | | Formula: | C17 H33 O8 P | | SMILES: | O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O | | InChi: | InChI=1S/C17H33O8P/c1-3-5-7-9-11-16(18)23-13-15(14-24-26(20,21)22)25-17(19)12-10-8-6-4-2/h15H,3-14H2,1-2H3,(H2,20,21,22)/t15-/m1/s1 | | Definition date: | 2007-12-07 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate |
|
 | | PDD | | Name: | N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1S/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-/m1/s1 | | Definition date: | 2002-03-18 | | Last modified: | 2011-06-04 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-D-alanine |
|
 | | PDE | | Name: | PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE | | Formula: | C13 H17 N2 O8 P | | SMILES: | O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)NC(C(=O)O)C | | InChi: | InChI=1S/C13H17N2O8P/c1-9(13(17)18)14-12(16)3-2-8-24(21,22)23-11-6-4-10(5-7-11)15(19)20/h4-7,9H,2-3,8H2,1H3,(H,14,16)(H,17,18)(H,21,22)/t9-/m0/s1 | | Definition date: | 2002-01-07 | | Last modified: | 2011-06-04 | | Identifier: | N-{4-[(R)-hydroxy(4-nitrophenoxy)phosphoryl]butanoyl}-L-alanine |
|
 | | PDJ | | Name: | (2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE | | Formula: | C38 H75 N O5 S | | SMILES: | O=C(OC(CSCC(N)CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C38H75NO5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)43-32-36(34-45-33-35(39)31-40)44-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,40H,3-34,39H2,1-2H3/t35-,36-/m1/s1 | | Definition date: | 2007-09-19 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-{[(2R)-2-amino-3-hydroxypropyl]sulfanyl}propane-1,2-diyl dihexadecanoate |
|
 | | PDO | | Name: | 1,3-PROPANDIOL | | Formula: | C3 H8 O2 | | SMILES: | OCCCO | | InChi: | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | propane-1,3-diol |
|
