 | | AGC | | Name: | ALPHA-D-GLUCOSE | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1 | | Definition date: | 2003-10-15 | | Last modified: | 2008-10-14 | | Identifier: | alpha-D-glucopyranose |
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 | | AHA | | Name: | 6-AMINO HEXANOIC ACID | | Formula: | C6 H13 N O2 | | SMILES: | O=C(O)CCCCCN | | InChi: | InChI=1/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)/f/h8H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 6-aminohexanoic acid |
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 | | ANE | | Name: | ADENINE | | Formula: | C5 H5 N5 | | SMILES: | n1c(c2ncnc2nc1)N | | InChi: | InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)/f/h9H,6H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 9H-purin-6-amine |
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 | | 0AT | | Name: | 2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose | | Formula: | C8 H16 N O9 P | | SMILES: | O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O | | InChi: | InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1/f/h9,14-15H | | Definition date: | 2007-11-11 | | Last modified: | 2008-10-14 | | Identifier: | 2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-glucopyranose |
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 | | DDB | | Name: | 3-METHYL-2,6-DIDEOXY-BETA-D-ALLOPYRANOSE | | Formula: | C7 H14 O4 | | SMILES: | OC1(C)C(O)C(OC(O)C1)C | | InChi: | InChI=1/C7H14O4/c1-4-6(9)7(2,10)3-5(8)11-4/h4-6,8-10H,3H2,1-2H3/t4-,5-,6-,7+/m1/s1 | | Synonyms: | 3-O-METHYL-2,6-DIDEOXY-BETA-D-ALTROPYRANOSE | | Definition date: | 1999-07-09 | | Last modified: | 2008-10-14 | | Identifier: | 2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranose |
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 | | FA | | Name: | FOLIC ACID | | Formula: | C19 H19 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCc2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O | | InChi: | InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/f/h24-25,27,31H,20H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid |
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 | | DGH | | Name: | (2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID | | Formula: | C8 H9 N O3 | | SMILES: | O=C(O)C(N)c1ccc(O)cc1 | | InChi: | InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1/f/h11H | | Definition date: | 2004-09-08 | | Last modified: | 2008-10-14 | | Identifier: | (2R)-amino(4-hydroxyphenyl)ethanoic acid |
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 | | DGM | | Name: | D-GLUCOPYRANOSYLIUM | | Formula: | C6 H11 O5 | | SMILES: | OC1C(O)C(O)[CH+]OC1CO | | InChi: | InChI=1/C6H11O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2-10H,1H2/q+1/t3-,4+,5+,6+/m0/s1 | | Definition date: | 2005-08-30 | | Last modified: | 2008-10-14 | | Identifier: | (3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-ylium |
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 | | DOX | | Name: | DIOXANE | | Formula: | C4 H8 O2 | | SMILES: | O1CCOCC1 | | InChi: | InChI=1/C4H8O2/c1-2-6-4-3-5-1/h1-4H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 1,4-dioxane |
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 | | DSX | | Name: | BATIMASTAT | | Formula: | C23 H31 N3 O4 S2 | | SMILES: | O=C(NC)C(NC(=O)C(C(C(=O)NO)CSc1sccc1)CC(C)C)Cc2ccccc2 | | InChi: | InChI=1/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1/f/h24-26H | | Synonyms: | BB-99 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide |
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 | | ETD | | Name: | ETHENYLENE GROUP | | Formula: | C2 H2 | | SMILES: | C#C | | InChi: | InChI=1/C2H2/c1-2/h1-2H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | ethyne |
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 | | ETH | | Name: | ETHYL GROUP | | Formula: | C2 H5 | | SMILES: | CC | | InChi: | InChI=1/C2H6/c1-2/h1-2H3 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | ethane |
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 | | F22 | | Name: | (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid | | Formula: | C22 H32 O2 | | SMILES: | O=C(O)CCC=C/C/C=CCC=C/CC=C/CC=C/CC=C/CC | | InChi: | InChI=1/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-/f/h23H | | Definition date: | 2008-06-02 | | Last modified: | 2008-10-14 | | Identifier: | (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid |
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 | | 2OG | | Name: | 2-OXO-GLUTARIC ACID | | Formula: | C5 H6 O5 | | SMILES: | O=C(O)C(=O)CCC(=O)O | | InChi: | InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/f/h7,9H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 2-oxopentanedioic acid |
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 | | GCL | | Name: | 1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6-METHYLHEPTANE | | Formula: | C14 H29 N O2 | | SMILES: | OC(CC(C)C)C(O)C(N)CC1CCCCC1 | | InChi: | InChI=1/C14H29NO2/c1-10(2)8-13(16)14(17)12(15)9-11-6-4-3-5-7-11/h10-14,16-17H,3-9,15H2,1-2H3/t12-,13-,14+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (2S,3R,4S)-2-amino-1-cyclohexyl-6-methylheptane-3,4-diol |
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 | | GDB | | Name: | 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE | | Formula: | C16 H19 N5 O10 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1ccc(cc1N(=O)=O)N(=O)=O | | InChi: | InChI=1/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1/f/h18-19,23,26H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine |
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 | | GLB | | Name: | BETA-D-GALACTOSE | | Formula: | C6 H12 O6 | | SMILES: | OC1C(O)C(OC(O)C1O)CO | | InChi: | InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | beta-D-galactopyranose |
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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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 | | 5SA | | Name: | ACARBOSE DERIVED PENTASACCHARIDE | | Formula: | C31 H53 N O23 | | SMILES: | O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO | | InChi: | InChI=1/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1 | | Synonyms: | 4-O-(4,6-DIDEOXY-4-{[4-[(4-O-ALPHA-D-ERYTHRO-HEXOPYRANOSYL-ALPHA-D-ERYTHRO-HEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ARABINO-HEXOPYRANOSE | | Definition date: | 2004-09-15 | | Last modified: | 2008-10-14 | | Identifier: | 4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose |
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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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 | | 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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