 | | CBZ | | Name: | CARBOBENZOXY GROUP | | Formula: | C8 H8 O2 | | SMILES: | O=COCc1ccccc1 | | InChi: | InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | benzyl formate |
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 | | 450 | | Name: | {[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([3-AMINO)PHENYL]METHYL-4,7-BIA(PHENYLMETHYL)-2H-1,3-DIAZEPINONE | | Formula: | C33 H38 N4 O3 | | SMILES: | OC2C(N(Cc1cccc(N)c1)C(O)N(C(C2O)Cc3ccccc3)Cc4cccc(N)c4)Cc5ccccc5 | | InChi: | InChI=1/C33H38N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-33,38-40H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1 | | Synonyms: | DMP450 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (4R,5S,6S,7R)-1,3-bis(3-aminobenzyl)-4,7-dibenzyl-1,3-diazepane-2,5,6-triol |
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 | | BOT | | Name: | BENZOTHIAZOLE | | Formula: | C7 H5 N S | | SMILES: | n1c2ccccc2sc1 | | InChi: | InChI=1/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 1,3-benzothiazole |
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 | | BOX | | Name: | BENZOIC ACID | | Formula: | C7 H6 O2 | | SMILES: | O=C(O)c1ccccc1 | | InChi: | InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/f/h8H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | benzoic acid |
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 | | BP | | Name: | (-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | | Formula: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | BPC | | Name: | (7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL | | Formula: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | | Definition date: | 2001-10-04 | | Last modified: | 2008-10-14 | | Identifier: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | BRI | | Name: | (O4)-METHYL-2-DEOXYFUCOSE | | Formula: | C7 H14 O4 | | SMILES: | O(C1C(OC(O)CC1O)C)C | | InChi: | InChI=1/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 2,6-dideoxy-4-O-methyl-alpha-D-lyxo-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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 | | CYL | | Name: | VALIENAMINE | | Formula: | C7 H13 N O4 | | SMILES: | OC1C(=CC(N)C(O)C1O)CO | | InChi: | InChI=1/C7H13NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h1,4-7,9-12H,2,8H2/t4-,5+,6-,7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol |
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 | | CYP | | Name: | 9R,10R-9-GLUTATHIONYL-10-HYDROXY-9,10-DIHYDRO PHENANTHRENE | | Formula: | C24 H27 N3 O7 S | | SMILES: | O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)C3O | | InChi: | InChI=1/C24H27N3O7S/c25-17(24(33)34)9-10-19(28)27-18(23(32)26-11-20(29)30)12-35-22-16-8-4-2-6-14(16)13-5-1-3-7-15(13)21(22)31/h1-8,17-18,21-22,31H,9-12,25H2,(H,26,32)(H,27,28)(H,29,30)(H,33,34)/t17-,18-,21+,22+/m0/s1/f/h26-27,29,33H | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | L-gamma-glutamyl-S-[(9R,10R)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine |
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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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 | | 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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 | | 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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 | | 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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 | | ADG | | Name: | O-3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSE | | Formula: | C6 H14 N O5 | | SMILES: | OC1C([NH3+])C(O)C(OC1O)CO | | InChi: | InChI=1/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1/fC6H14NO5/h7H/q+1 | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 | | Identifier: | 3-ammonio-3-deoxy-alpha-D-glucopyranose |
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 | | AFL | | Name: | ALPHA-L-FUCOSE | | 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?/m0/s1 | | Definition date: | 2002-09-19 | | Last modified: | 2008-10-14 | | Identifier: | 6-deoxy-beta-L-galactopyranose |
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 | | 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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