 | | TLB | | Name: | 2'-O,3'-C-METHYLENE-ARABINOFURANOSYL-THYMINE-5'-MONOPHOSPHATE | | Formula: | C11 H15 N2 O9 P | | SMILES: | O=C1C(=CN(C(=O)N1)C3OC(C2(O)COC23)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H15N2O9P/c1-5-2-13(10(15)12-8(5)14)9-7-11(16,4-20-7)6(22-9)3-21-23(17,18)19/h2,6-7,9,16H,3-4H2,1H3,(H,12,14,15)(H2,17,18,19)/t6-,7-,9-,11-/m1/s1 | | Definition date: | 2003-02-07 | | Last modified: | 2011-06-04 | | Identifier: | [(1R,2R,4R,5S)-1-hydroxy-4-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,6-dioxabicyclo[3.2.0]hept-2-yl]methyl dihydrogen phosphate |
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 | | TLN | | Name: | [(1R,3R,4R,7S)-7-HYDROXY-3-(THYMIN-1-YL)-2,5-DIOXABICYCLO[2.2.1]HEPT-1-YL]METHYL DIHYDROGEN PHOSPHATE | | Formula: | C11 H15 N2 O9 P | | SMILES: | O=C1C(=CN(C(=O)N1)C3OC2(C(O)C3OC2)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H15N2O9P/c1-5-2-13(10(16)12-8(5)15)9-6-7(14)11(22-9,3-20-6)4-21-23(17,18)19/h2,6-7,9,14H,3-4H2,1H3,(H,12,15,16)(H2,17,18,19)/t6-,7+,9-,11-/m1/s1 | | Definition date: | 2001-01-04 | | Last modified: | 2011-06-04 | | Identifier: | 1-{2,5-anhydro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | TM1 | | Name: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) | | Formula: | C16 H15 N8 O13 P | | SMILES: | [O-][N+](=O)C5=CC([N+]([O-])=O)C=C([N+]([O-])=O)C15OC4C(O1)C(OC4n2c3ncnc(N)c3nc2)COP(=O)(O)O | | InChi: | InChI=1S/C16H15N8O13P/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(35-15)3-34-38(31,32)33)36-16(37-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16-/m1/s1 | | Definition date: | 2011-01-07 | | Last modified: | 2011-06-04 | | Identifier: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) |
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 | | TM2 | | Name: | 5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate) | | Formula: | C12 H20 N3 O12 P S | | SMILES: | O=S(=O)(O)CCNCC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C12H20N3O12PS/c16-8-7(5-26-28(20,21)22)27-11(9(8)17)15-4-6(10(18)14-12(15)19)3-13-1-2-29(23,24)25/h4,7-9,11,13,16-17H,1-3,5H2,(H,14,18,19)(H2,20,21,22)(H,23,24,25)/t7-,8-,9-,11-/m1/s1 | | Definition date: | 2008-03-14 | | Last modified: | 2011-06-04 | | Identifier: | 5-{[(2-sulfoethyl)amino]methyl}uridine 5'-(dihydrogen phosphate) |
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 | | TMA | | Name: | TETRAMETHYLAMMONIUM ION | | Formula: | C4 H12 N | | SMILES: | C[N+](C)(C)C | | InChi: | InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1 | | Definition date: | 2000-03-14 | | Last modified: | 2011-06-04 | | Identifier: | N,N,N-trimethylmethanaminium |
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 | | 8GT | | Name: | 8-OXO-GUANOSINE-5'-TRIPHOSPHATE | | Formula: | C10 H16 N5 O15 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N2C(=O)NC1=C2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C10H16N5O15P3/c11-9-13-6-3(7(18)14-9)12-10(19)15(6)8-5(17)4(16)2(28-8)1-27-32(23,24)30-33(25,26)29-31(20,21)22/h2,4-5,8,16-17H,1H2,(H,12,19)(H,23,24)(H,25,26)(H2,20,21,22)(H3,11,13,14,18)/t2-,4-,5-,8-/m1/s1 | | Definition date: | 2004-12-16 | | Last modified: | 2011-06-04 | | Identifier: | 8-oxoguanosine 5'-(tetrahydrogen triphosphate) |
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 | | TMF | | Name: | 5,10-METHYLENE-6-HYDROFOLIC ACID | | Formula: | C20 H21 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)N3CN2C4=C(N=CC2C3)NC(=NC4=O)N)CCC(=O)O | | InChi: | InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-({4-[(6aS)-3-amino-1-oxo-1,4,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-D-glutamic acid |
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 | | TMG | | Name: | 2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE | | Formula: | C10 H7 N3 S | | SMILES: | n2c1c(cccc1)nc2c3ncsc3 | | InChi: | InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13) | | Definition date: | 2005-02-25 | | Last modified: | 2011-06-04 | | Identifier: | 2-(1,3-thiazol-4-yl)-1H-benzimidazole |
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 | | 8H1 | | Name: | 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine | | Formula: | C28 H27 N5 O3 | | SMILES: | n2c1cc(OC)c(OC)cc1c5c(c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N | | InChi: | InChI=1S/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/m0/s1 | | Definition date: | 2009-08-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-(5-{[(2S)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine |
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 | | TMM | | Name: | 1,3,5-BENZENETRICARBOXYLIC ACID | | Formula: | C9 H6 O6 | | SMILES: | O=C(O)c1cc(cc(C(=O)O)c1)C(=O)O | | InChi: | InChI=1S/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,3,5-tricarboxylic acid |
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 | | TMO | | Name: | trimethylamine oxide | | Formula: | C3 H9 N O | | SMILES: | [O-][N+](C)(C)C | | InChi: | InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 | | Definition date: | 2008-10-16 | | Last modified: | 2011-06-04 | | Identifier: | trimethylamine oxide |
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 | | TMP | | Name: | THYMIDINE-5'-PHOSPHATE | | Formula: | C10 H15 N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-thymidylic acid |
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 | | TMS | | Name: | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE | | Formula: | C21 H25 N O5 | | SMILES: | O=C(NCCCO)c1ccc(cc1)C=Cc2cc(OC)c(OC)c(OC)c2 | | InChi: | InChI=1S/C21H25NO5/c1-25-18-13-16(14-19(26-2)20(18)27-3)6-5-15-7-9-17(10-8-15)21(24)22-11-4-12-23/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,22,24)/b6-5+ | | Definition date: | 2004-08-17 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-hydroxypropyl)-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide |
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 | | 8HG | | Name: | 2'-DEOXY-8-OXOGUANOSINE | | Formula: | C10 H13 N5 O5 | | SMILES: | O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)CO | | InChi: | InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1 | | Definition date: | 2004-10-21 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-8-oxoguanosine |
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 | | 8HI | | Name: | (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid | | Formula: | C33 H36 F N3 O7 S | | SMILES: | O=S(=O)(N)c1ccc(cc1)NC(=O)c2c(c(c(n2C(C)C)CCC(O)CC(O)CC(=O)O)c3ccc(F)cc3)c4ccccc4 | | InChi: | InChI=1S/C33H36FN3O7S/c1-20(2)37-28(17-14-25(38)18-26(39)19-29(40)41)30(22-8-10-23(34)11-9-22)31(21-6-4-3-5-7-21)32(37)33(42)36-24-12-15-27(16-13-24)45(35,43)44/h3-13,15-16,20,25-26,38-39H,14,17-19H2,1-2H3,(H,36,42)(H,40,41)(H2,35,43,44)/t25-,26-/m1/s1 | | Definition date: | 2008-02-27 | | Last modified: | 2011-06-04 | | Identifier: | (3R,5R)-7-{3-(4-fluorophenyl)-1-(1-methylethyl)-4-phenyl-5-[(4-sulfamoylphenyl)carbamoyl]-1H-pyrrol-2-yl}-3,5-dihydroxyheptanoic acid |
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 | | TN2 | | Name: | 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL | | Formula: | C12 H7 Cl2 N O4 | | SMILES: | Clc2cc(ccc2Oc1ccc(Cl)cc1O)[N+]([O-])=O | | InChi: | InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H | | Definition date: | 2005-06-09 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-2-(2-chloro-4-nitrophenoxy)phenol |
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 | | TN3 | | Name: | 3-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-N-METHYLBENZAMIDE | | Formula: | C14 H11 Cl2 N O3 | | SMILES: | Clc2cc(ccc2Oc1ccc(Cl)cc1O)C(=O)NC | | InChi: | InChI=1S/C14H11Cl2NO3/c1-17-14(19)8-2-4-12(10(16)6-8)20-13-5-3-9(15)7-11(13)18/h2-7,18H,1H3,(H,17,19) | | Definition date: | 2005-06-15 | | Last modified: | 2011-06-04 | | Identifier: | 3-chloro-4-(4-chloro-2-hydroxyphenoxy)-N-methylbenzamide |
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 | | TN5 | | Name: | 2-(4-AMINO-2-CHLOROPHENOXY)-5-CHLOROPHENOL | | Formula: | C12 H9 Cl2 N O2 | | SMILES: | Clc2cc(ccc2Oc1ccc(Cl)cc1O)N | | InChi: | InChI=1S/C12H9Cl2NO2/c13-7-1-3-12(10(16)5-7)17-11-4-2-8(15)6-9(11)14/h1-6,16H,15H2 | | Definition date: | 2005-06-15 | | Last modified: | 2011-06-04 | | Identifier: | 2-(4-amino-2-chlorophenoxy)-5-chlorophenol |
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 | | TNB | | Name: | S-(2,3,6-TRINITROPHENYL)CYSTEINE | | Formula: | C9 H8 N4 O8 S | | SMILES: | [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1SCC(C(=O)O)N)[N+]([O-])=O | | InChi: | InChI=1S/C9H8N4O8S/c10-5(9(14)15)3-22-8-6(12(18)19)1-4(11(16)17)2-7(8)13(20)21/h1-2,5H,3,10H2,(H,14,15)/t5-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | S-(2,4,6-trinitrophenyl)-L-cysteine |
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 | | TND | | Name: | N-1,2,3,4-TETRAHYDRONAPHTH-1-YL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE | | Formula: | C29 H32 N6 O6 | | SMILES: | O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c(ncnc23)NC5c4ccccc4CCC5)CO | | InChi: | InChI=1S/C29H32N6O6/c1-39-18-10-17(11-19(12-18)40-2)28(38)34-23-25(37)22(13-36)41-29(23)35-15-32-24-26(30-14-31-27(24)35)33-21-9-5-7-16-6-3-4-8-20(16)21/h3-4,6,8,10-12,14-15,21-23,25,29,36-37H,5,7,9,13H2,1-2H3,(H,34,38)(H,30,31,33)/t21-,22-,23-,25-,29-/m1/s1 | | Definition date: | 2001-02-21 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-2'-{[(3,5-dimethoxyphenyl)carbonyl]amino}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]adenosine |
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 | | 8I1 | | Name: | 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine | | Formula: | C28 H27 N5 O3 | | SMILES: | n2c1cc(OC)c(OC)cc1c5c(c2)c(nc(c4cc(OCC(N)Cc3ccccc3)cnc4)c5)N | | InChi: | InChI=1S/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/m1/s1 | | Definition date: | 2009-08-17 | | Last modified: | 2011-06-04 | | Identifier: | 2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine |
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 | | 8IN | | Name: | [3-(1-BENZYL-3-CARBAMOYLMETHYL-2-METHYL-1H-INDOL-5-YLOXY)-PROPYL-]-PHOSPHONIC ACID | | Formula: | C21 H25 N2 O5 P | | SMILES: | O=P(O)(O)CCCOc1cc2c(cc1)n(c(c2CC(=O)N)C)Cc3ccccc3 | | InChi: | InChI=1S/C21H25N2O5P/c1-15-18(13-21(22)24)19-12-17(28-10-5-11-29(25,26)27)8-9-20(19)23(15)14-16-6-3-2-4-7-16/h2-4,6-9,12H,5,10-11,13-14H2,1H3,(H2,22,24)(H2,25,26,27) | | Definition date: | 1999-11-04 | | Last modified: | 2011-06-04 | | Identifier: | (3-{[3-(2-amino-2-oxoethyl)-1-benzyl-2-methyl-1H-indol-5-yl]oxy}propyl)phosphonic acid |
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 | | 8IP | | Name: | N~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-2,3-DIAMINE | | Formula: | C17 H16 N4 | | SMILES: | n1cccc(c1)c2cccc(c2)CNc3cccnc3N | | InChi: | InChI=1S/C17H16N4/c18-17-16(7-3-9-20-17)21-11-13-4-1-5-14(10-13)15-6-2-8-19-12-15/h1-10,12,21H,11H2,(H2,18,20) | | Definition date: | 2007-01-12 | | Last modified: | 2011-06-04 | | Identifier: | N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine |
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 | | TOB | | Name: | 1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANE | | Formula: | C6 H16 N2 O2 | | SMILES: | OC1CC([NH3+])CC([NH3+])C1O | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-4(8)6(10)5(9)2-3/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (1S,3R,4S,5S)-4,5-dihydroxycyclohexane-1,3-diaminium |
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 | | TOH | | Name: | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-3-ENOIC ACID | | Formula: | C10 H8 O4 | | SMILES: | O=C(O)C(=O)/C=Cc1ccccc1O | | InChi: | InChI=1S/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14) | | Definition date: | 2006-12-11 | | Last modified: | 2011-06-04 | | Identifier: | (3Z)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid |
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