 | | GLI | | Name: | ALA-ALA-PHE-PSI((S)-CHOH-CH2)-GLY-VAL-VAL-OME | | Formula: | C29 H47 N5 O7 | | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C | | InChi: | InChI=1/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1/f/h31-34H | | Synonyms: | SKF 107457 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate |
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 | | GLW | | Name: | 6-DEOXYGLUCOSE | | Formula: | C6 H12 O5 | | SMILES: | OC1C(O)C(OC(O)C1O)C | | InChi: | InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6+/m1/s1 | | Definition date: | 2001-12-06 | | Last modified: | 2008-10-14 | | Identifier: | 6-deoxy-alpha-D-glucopyranose |
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 | | ICI | | Name: | ISOCITRIC ACID | | Formula: | C6 H8 O7 | | SMILES: | O=C(O)C(CC(=O)O)C(O)C(=O)O | | InChi: | InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/t2-,4+/m0/s1/f/h7,10,12H | | Definition date: | 1999-08-04 | | Last modified: | 2008-10-14 | | Identifier: | 3-carboxy-2,3-dideoxy-L-threo-pentaric acid |
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 | | IDO | | Name: | IODO GROUP | | Formula: | I | | SMILES: | I | | InChi: | InChI=1/HI/h1H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | hydrogen iodide |
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 | | KGR | | Name: | 5-KETO-4-DEOXYGLUCARATE | | Formula: | C6 H6 O7 | | SMILES: | O=C([O-])C(O)C(O)CC(=O)C([O-])=O | | InChi: | InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2/t2-,4+/m0/s1/fC6H6O7/q-2 | | Definition date: | 2001-06-26 | | Last modified: | 2008-10-14 | | Identifier: | (2R,3S)-2,3-dihydroxy-5-oxohexanedioate (non-preferred name) |
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 | | 345 | | Name: | 4-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYL]-4-METHYL-TETRAHYDRO-PYRAN;COMPOUND WITH N-HYDROXY-ACETAMIDE | | Formula: | C19 H20 Cl N O6 S | | SMILES: | O=S(=O)(c2ccc(Oc1ccc(Cl)cc1)cc2)C3(CC(=O)NO)CCOCC3 | | InChi: | InChI=1/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)19(13-18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)/f/h21H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 2-(4-{[4-(4-chlorophenoxy)phenyl]sulfonyl}tetrahydro-2H-pyran-4-yl)-N-hydroxyacetamide |
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 | | 577 | | Name: | 4-[5-(4-FLUORO-PHENYL)-2-[4-METHANESULFINYL-PHENYL]-3H-IMIDAZOL-4-YL]-PYRIDINE | | Formula: | C21 H16 F N3 O S | | SMILES: | Fc4ccc(c2nc(c1ccc(S(=O)C)cc1)nc2c3ccncc3)cc4 | | InChi: | InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)/f/h25H | | Synonyms: | SB202190 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 4-[4-(4-fluorophenyl)-2-{4-[(S)-methylsulfinyl]phenyl}-1H-imidazol-5-yl]pyridine |
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 | | KO4 | | Name: | POTASSIUM ION, 4 WATERS COORDINATED | | Formula: | H8 K O4 | | SMILES: | O|[K](|O)(|O)|O | | InChi: | InChI=1/K.4H2O/h | | Definition date: | 2002-01-22 | | Last modified: | 2008-10-14 |
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 | | GS4 | | Name: | 4-THIO-BETA-D-GLUCOPYRANOSE | | Formula: | C6 H12 O5 S | | SMILES: | OC1C(S)C(OC(O)C1O)CO | | InChi: | InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1 | | Definition date: | 2001-11-26 | | Last modified: | 2008-10-14 | | Identifier: | 4-thio-beta-D-glucopyranose |
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 | | GSA | | Name: | O4-SULFONYLGALACTOSE | | Formula: | C6 H12 O9 S | | SMILES: | O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO | | InChi: | InChI=1/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5+,6-/m1/s1/f/h11H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 4-O-sulfo-beta-D-galactopyranose |
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 | | GSD | | Name: | 4-THIO-D-GLUCOSE | | Formula: | C6 H12 O5 S | | SMILES: | OC1C(S)C(OC(O)C1O)CO | | InChi: | InChI=1/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6?/m1/s1 | | Definition date: | 2001-03-30 | | Last modified: | 2008-10-14 | | Identifier: | 4-thio-beta-D-glucopyranose |
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 | | GTE | | Name: | GLUCOSE 4-O4 GROUP | | Formula: | H O | | SMILES: | O | | InChi: | InChI=1/H2O/h1H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | water |
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 | | GTN | | Name: | PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER | | Formula: | C10 H17 N6 O13 P3 | | SMILES: | O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1/f/h14-15,20-21,23,25H,11H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]guanosine |
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 | | GTO | | Name: | PHOSPHOMETHYLPHOSPHONIC ACID-GUANYLATE ESTER | | Formula: | C11 H18 N5 O13 P3 | | SMILES: | O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-32(25,26)29-31(23,24)3-30(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1/f/h15,20-21,23,25H,12H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]guanosine |
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 | | GUR | | Name: | GLYCOLURIL | | Formula: | C4 H6 N4 O2 | | SMILES: | O=C1NC2NC(=O)NC2N1 | | InChi: | InChI=1/C4H6N4O2/c9-3-5-1-2(7-3)8-4(10)6-1/h1-2H,(H2,5,7,9)(H2,6,8,10)/t1-,2+/f/h5-8H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | cis-tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione |
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 | | QTR | | Name: | OXYGEN OF QUINONE | | Formula: | O | | SMILES: | O | | InChi: | InChI=1/H2O/h1H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | water |
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 | | QX | | Name: | QUINOXALINE-2-CARBOXYLIC ACID | | Formula: | C9 H6 N2 O2 | | SMILES: | O=C(O)c1nc2ccccc2nc1 | | InChi: | InChI=1/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/f/h12H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | quinoxaline-2-carboxylic acid |
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 | | Q72 | | Name: | (S)-4-(4-(3-(3-CARBAMIMIDOYLPHENYL)-2-(2,4,6-TRIISOPROPYLPHENYLSULFONAMIDO)PROPANOYL)PIPERAZINE-1-CARBONYL)PIPERIDINE-1-CARBOXIMIDAMIDE | | Formula: | C36 H54 N8 O4 S | | SMILES: | O=C(N2CCN(C(=O)C1CCN(C(=[N@H])N)CC1)CC2)C(NS(=O)(=O)c3c(cc(cc3C(C)C)C(C)C)C(C)C)Cc4cc(C(=[N@H])N)ccc4 | | InChi: | InChI=1/C36H54N8O4S/c1-22(2)28-20-29(23(3)4)32(30(21-28)24(5)6)49(47,48)41-31(19-25-8-7-9-27(18-25)33(37)38)35(46)43-16-14-42(15-17-43)34(45)26-10-12-44(13-11-26)36(39)40/h7-9,18,20-24,26,31,41H,10-17,19H2,1-6H3,(H3,37,38)(H3,39,40)/t31-/m0/s1/f/h37,39H,38,40H2/b37-33+,39-36- | | Definition date: | 2006-05-04 | | Last modified: | 2008-10-14 | | Identifier: | 4-({4-[(2S)-3-(3-carbamimidoylphenyl)-2-({[2,4,6-tris(1-methylethyl)phenyl]sulfonyl}amino)propanoyl]piperazin-1-yl}carbonyl)piperidine-1-carboximidamide |
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 | | ABK | | Name: | 3-AMINO-5,5-DI-FLUORO-2-KETO-PENTAN-1-OIC ACID | | Formula: | C5 H7 F2 N O3 | | SMILES: | O=C(C(=O)O)C(N)CC(F)F | | InChi: | InChI=1/C5H7F2NO3/c6-3(7)1-2(8)4(9)5(10)11/h2-3H,1,8H2,(H,10,11)/t2-/m0/s1/f/h10H | | Definition date: | 2000-01-19 | | Last modified: | 2008-10-14 | | Identifier: | (3S)-3-amino-5,5-difluoro-2-oxopentanoic acid |
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 | | AC4 | | Name: | AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE | | Formula: | C9 H15 N4 O8 P | | SMILES: | O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N | | InChi: | InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1/f/h17-18H,11H2 | | Synonyms: | AICAR | | Definition date: | 2002-08-14 | | Last modified: | 2008-10-14 | | Identifier: | 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide |
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 | | ACU | | Name: | ACETALDEHYDE | | Formula: | C2 H4 O | | SMILES: | O=CC | | InChi: | InChI=1/C2H4O/c1-2-3/h2H,1H3 | | Definition date: | 2004-06-10 | | Last modified: | 2008-10-14 | | Identifier: | acetaldehyde |
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 | | R51 | | Name: | 5-O-phosphono-D-ribose | | Formula: | C5 H11 O8 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C=O | | InChi: | InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1/f/h10-11H | | Definition date: | 2008-06-11 | | Last modified: | 2008-10-14 | | Identifier: | 5-O-phosphono-D-ribose |
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 | | 638 | | Name: | [4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3'-[[TETRAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPINE-1,3(2H)-DIYL]BIS(METHYLENE)]BIS[N-2-THIAZOLYLBENZAMIDE] | | Formula: | C41 H38 N6 O5 S2 | | SMILES: | O=C(c1cccc(c1)CN5C(=O)N(Cc3cc(C(=O)Nc2nccs2)ccc3)C(Cc4ccccc4)C(O)C(O)C5Cc6ccccc6)Nc7nccs7 | | InChi: | InChI=1/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1/f/h44-45H | | Synonyms: | XV638 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 3,3'-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]dimethanediyl}bis(N-1,3-thiazol-2-ylbenzamide) |
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 | | 6AB | | Name: | 6-AMINOBENZOIC ACID | | Formula: | C7 H7 N O2 | | SMILES: | O=C(O)c1ccccc1N | | InChi: | InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/f/h9H | | Definition date: | 1999-07-19 | | Last modified: | 2008-10-14 | | Identifier: | 2-aminobenzoic acid |
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 | | LAU | | Name: | DODECANOIC ACID | | Formula: | C12 H24 O2 | | SMILES: | O=C(O)CCCCCCCCCCC | | InChi: | InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)/f/h13H | | Definition date: | 2002-08-02 | | Last modified: | 2008-10-14 | | Identifier: | dodecanoic acid |
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