| U | Name: | URIDINE-5'-MONOPHOSPHATE | Formula: | C9 H13 N2 O9 P | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O | InChi: | InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 5'-uridylic acid |
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| NI9 | Name: | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | Formula: | C7 H11 F N O7 P2 | SMILES: | Fc1ccc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O | InChi: | InChI=1S/C7H10FNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)/p+1 | Definition date: | 2007-01-10 | Last modified: | 2011-06-04 | Identifier: | 3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium |
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| STS | Name: | 2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM | Formula: | C15 H16 N3 S | SMILES: | SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3 | InChi: | InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1 | Definition date: | 2005-01-12 | Last modified: | 2011-06-04 | Identifier: | 2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium |
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| PZR | Name: | 1H-pyrazolo[4,3-c]pyridine | Formula: | C6 H5 N3 | SMILES: | n1ccc2c(c1)cnn2 | InChi: | InChI=1S/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9) | Definition date: | 2011-05-26 | Last modified: | 2011-06-04 | Identifier: | 1H-pyrazolo[4,3-c]pyridine |
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| STU | Name: | STAUROSPORINE | Formula: | C28 H26 N4 O3 | SMILES: | O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C | InChi: | InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
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| NID | Name: | 4-NITRO-INDEN-1-ONE | Formula: | C9 H5 N O3 | SMILES: | [O-][N+](=O)c1cccc2c1C=CC2=O | InChi: | InChI=1S/C9H5NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-5H | Definition date: | 1999-12-29 | Last modified: | 2011-06-04 | Identifier: | 4-nitro-1H-inden-1-one |
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| NIE | Name: | nitroethane | Formula: | C2 H5 N O2 | SMILES: | [O-][N+](=O)CC | InChi: | InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3 | Definition date: | 2008-01-09 | Last modified: | 2011-06-04 | Identifier: | nitroethane |
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| P6F | Name: | 1,6-di-O-phosphono-D-fructose | Formula: | C6 H14 O12 P2 | SMILES: | O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O | InChi: | InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1 | Definition date: | 2009-03-02 | Last modified: | 2011-06-04 | Identifier: | 1,6-di-O-phosphono-D-fructose |
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| VAR | Name: | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol | Formula: | C14 H11 N7 O | SMILES: | n1ccc(O)c2c1n4c(c2c3nc(ncc3)N)ccnc4N | InChi: | InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20) | Definition date: | 2007-12-04 | Last modified: | 2011-06-04 | Identifier: | 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol |
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| WO5 | Name: | TUNGSTATE(VI) ION | Formula: | H5 O5 W | SMILES: | O[W](O)(O)(O)O | InChi: | InChI=1S/5H2O.W/h5*1H2 | Definition date: | 2004-04-01 | Last modified: | 2011-06-04 | Identifier: | tungsten(5+) pentahydroxide |
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| NII | Name: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone | Formula: | C30 H42 N6 O6 | SMILES: | O=C4c3c2c(c(cc1C(=O)N(C(=O)c(c12)c(NCCCO)c3)CCCN(C)C)NCCCO)C(=O)N4CCCN(C)C | InChi: | InChI=1S/C30H42N6O6/c1-33(2)11-7-13-35-27(39)19-17-22(32-10-6-16-38)26-24-20(28(40)36(30(26)42)14-8-12-34(3)4)18-21(31-9-5-15-37)25(23(19)24)29(35)41/h17-18,31-32,37-38H,5-16H2,1-4H3 | Definition date: | 2008-02-28 | Last modified: | 2011-06-04 | Identifier: | 2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone |
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| Z12 | Name: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide | Formula: | C21 H12 Cl4 N2 O3 S | SMILES: | Clc1ccc(c(Cl)c1)S(=O)(=O)Nc4cc(Cl)c(Oc2cc3ccccc3nc2)c(Cl)c4 | InChi: | InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H | Definition date: | 2009-01-20 | Last modified: | 2011-06-04 | Identifier: | 2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide |
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| 051 | Name: | (1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID | Formula: | C26 H23 F N2 O7 S | SMILES: | O=S(=O)(NC1C(C(=O)O)CC(C(=O)O)CC1)c4cc3ccc(OCc2ccc(C#N)cc2F)cc3cc4 | InChi: | InChI=1S/C26H23FN2O7S/c27-23-9-15(13-28)1-2-19(23)14-36-20-6-3-17-11-21(7-4-16(17)10-20)37(34,35)29-24-8-5-18(25(30)31)12-22(24)26(32)33/h1-4,6-7,9-11,18,22,24,29H,5,8,12,14H2,(H,30,31)(H,32,33)/t18-,22-,24+/m1/s1 | Definition date: | 2010-08-26 | Last modified: | 2011-06-04 | Identifier: | (1R,3R,4S)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid |
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| U2F | Name: | URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Formula: | C15 H23 F N2 O16 P2 | SMILES: | O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | InChi: | InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8-,9-,10-,11-,12-,13-,14-/m1/s1 | Definition date: | 2003-10-20 | Last modified: | 2011-06-04 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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| ZNP | Name: | (2R)-2-benzyl-3-nitropropanamide | Formula: | C10 H12 N2 O3 | SMILES: | [O-][N+](=O)CC(C(=O)N)Cc1ccccc1 | InChi: | InChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1 | Definition date: | 2009-01-06 | Last modified: | 2011-06-04 | Identifier: | (2R)-2-benzyl-3-nitropropanamide |
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| NIO | Name: | NICOTINIC ACID | Formula: | C6 H5 N O2 | SMILES: | O=C(O)c1cccnc1 | InChi: | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | pyridine-3-carboxylic acid |
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| PLI | Name: | (2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID | Formula: | C11 H15 N2 O7 P | SMILES: | O=C(O)/C(=N/C=C1C(O)=C(NC=C1COP(=O)(O)O)C)C | InChi: | InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,12,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b9-4-,13-7+ | Definition date: | 2008-01-14 | Last modified: | 2011-06-04 | Identifier: | (2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid |
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| 057 | Name: | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide | Formula: | C21 H22 N4 O2 | SMILES: | O=C(c1cc2c(cc1)n(cc2c4cc3cccnc3n4)C)NC(C)(C)CO | InChi: | InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27) | Definition date: | 2009-01-09 | Last modified: | 2011-06-04 | Identifier: | N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide |
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| NIR | Name: | 3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM | Formula: | C11 H18 N2 O4 | SMILES: | O=C(N)C1C=CCN(C1)C2OC(C(O)C2O)C | InChi: | InChI=1S/C11H18N2O4/c1-6-8(14)9(15)11(17-6)13-4-2-3-7(5-13)10(12)16/h2-3,6-9,11,14-15H,4-5H2,1H3,(H2,12,16)/t6-,7+,8-,9-,11+/m1/s1 | Definition date: | 2002-05-21 | Last modified: | 2011-06-04 | Identifier: | (3S)-1-(5-deoxy-alpha-D-ribofuranosyl)-1,2,3,6-tetrahydropyridine-3-carboxamide |
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| U2L | Name: | 5-METHYL-3'-O-METHOXYETHYL URIDINE-5'-MONOPHOSPHATE | Formula: | C13 H21 N2 O10 P | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(OCCOC)C2O)COP(=O)(O)O | InChi: | InChI=1S/C13H21N2O10P/c1-7-5-15(13(18)14-11(7)17)12-9(16)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1 | Definition date: | 2004-10-29 | Last modified: | 2011-06-04 | Identifier: | 3'-O-(2-methoxyethyl)-5-methyluridine 5'-(dihydrogen phosphate) |
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| P6T | Name: | 1,6-di-O-phosphono-D-tagatose | Formula: | C6 H14 O12 P2 | SMILES: | O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O | InChi: | InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1 | Definition date: | 2009-03-02 | Last modified: | 2011-06-04 | Identifier: | 1,6-di-O-phosphono-D-tagatose |
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| 059 | Name: | (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | Formula: | C22 H31 N2 O6 P S | SMILES: | O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCc2ccccc2 | InChi: | InChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-10,13,16,20-21,24H,11-12,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1 | Definition date: | 2007-04-20 | Last modified: | 2011-06-04 | Identifier: | (2S)-2-[3-(aminomethyl)phenyl]-3-{(S)-hydroxy[(1R)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid |
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| SUD | Name: | 4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE | Formula: | C14 H26 N3 O17 P3 | SMILES: | O=P(O)(O)OC(C)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O | InChi: | InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1 | Definition date: | 2004-07-28 | Last modified: | 2011-06-04 | Identifier: | 5'-O-[(R)-{[(S)-{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine |
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| 05B | Name: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one | Formula: | C22 H21 N5 O3 | SMILES: | O=C3c1cc(nc1C2(CCNCC2)CN3)c4nc(ncc4)c5ccc6OCOc6c5 | InChi: | InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28) | Definition date: | 2011-03-17 | Last modified: | 2011-06-04 | Identifier: | 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one |
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| UVC | Name: | URIDINE-2',3'-VANADATE | Formula: | C9 H12 N2 O9 V | SMILES: | O=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O | InChi: | InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | dihydroxy(oxo)[uridinato(2-)-kappa~2~O~2'~,O~3'~]vanadium |
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