 | | G2C | | Name: | 2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine | | Formula: | C11 H16 Cl2 N5 O12 P3 | | SMILES: | O=P(O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C11H16Cl2N5O12P3/c12-11(13,31(21,22)23)32(24,25)30-33(26,27)28-2-5-4(19)1-6(29-5)18-3-15-7-8(18)16-10(14)17-9(7)20/h3-6,19H,1-2H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t4-,5+,6+/m0/s1 | | Definition date: | 2009-09-11 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(S)-{[(R)-[dichloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | G2L | | Name: | 3'-O-METHYOXYETHYL-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C13 H20 N5 O9 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OCCOC)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C13H20N5O9P/c1-24-2-3-25-9-6(4-26-28(21,22)23)27-12(8(9)19)18-5-15-7-10(18)16-13(14)17-11(7)20/h5-6,8-9,12,19H,2-4H2,1H3,(H2,21,22,23)(H3,14,16,17,20)/t6-,8-,9-,12-/m1/s1 | | Definition date: | 2004-10-29 | | Last modified: | 2011-06-04 | | Identifier: | 3'-O-(2-methoxyethyl)guanosine 5'-(dihydrogen phosphate) |
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 | | G2M | | Name: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(1-methyl-1-phosphonoethyl)phosphoryl]oxy}phosphoryl]guanosine | | Formula: | C13 H22 N5 O12 P3 | | SMILES: | O=P(O)(O)C(C)(C)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | InChi: | InChI=1S/C13H22N5O12P3/c1-13(2,31(21,22)23)32(24,25)30-33(26,27)28-4-7-6(19)3-8(29-7)18-5-15-9-10(18)16-12(14)17-11(9)20/h5-8,19H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H2,21,22,23)(H3,14,16,17,20)/t6-,7+,8+/m0/s1 | | Definition date: | 2009-09-14 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(2-phosphonopropan-2-yl)phosphoryl]oxy}phosphoryl]guanosine |
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 | | G2P | | Name: | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | | Formula: | C11 H18 N5 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | | InChi: | InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2004-08-06 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]guanosine |
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 | | G2S | | Name: | GUANOSINE-5'-DITHIOPHOSPHORATE | | Formula: | C10 H14 N5 O5 P S2 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=S)(O)S | | InChi: | InChI=1S/C10H14N5O5PS2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(20-6)2-19-21(18,22)23/h3-6,16H,1-2H2,(H2,18,22,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | | Definition date: | 2001-11-02 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-[(dithiophosphono)]guanosine |
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 | | G30 | | Name: | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid | | Formula: | C11 H9 F2 N O3 | | SMILES: | O=C(Nc1cc(F)ccc1F)C2C(C(=O)O)C2 | | InChi: | InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1 | | Definition date: | 2009-02-03 | | Last modified: | 2011-06-04 | | Identifier: | (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid |
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 | | G31 | | Name: | 3'-METHYL-2',3'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O6 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(C3)C)COP(=O)(O)O | | InChi: | InChI=1S/C11H16N5O6P/c1-5-2-7(22-6(5)3-21-23(18,19)20)16-4-13-8-9(16)14-11(12)15-10(8)17/h4-7H,2-3H2,1H3,(H2,18,19,20)(H3,12,14,15,17)/t5-,6+,7+/m0/s1 | | Definition date: | 1992-07-15 | | Last modified: | 2011-06-04 | | Identifier: | 2',3'-dideoxy-3'-methylguanosine 5'-(dihydrogen phosphate) |
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 | | G35 | | Name: | (5R)-5-carbamimidamido-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazolidine-2,4-dione | | Formula: | C9 H16 N5 O8 P | | SMILES: | NC(=N)N[CH]1N([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | | InChi: | InChI=1S/C9H16N5O8P/c10-8(11)12-6-7(16)13-9(17)14(6)5-1-3(15)4(22-5)2-21-23(18,19)20/h3-6,15H,1-2H2,(H4,10,11,12)(H,13,16,17)(H2,18,19,20)/t3-,4+,5+,6+/m0/s1 | | Definition date: | 2010-02-24 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,5R)-5-[(5R)-5-carbamimidamido-2,4-dioxo-imidazolidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate |
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 | | G36 | | Name: | O6-ETHYL-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE | | Formula: | C12 H18 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OCC)N)CC3O | | InChi: | InChI=1S/C12H18N5O7P/c1-2-22-11-9-10(15-12(13)16-11)17(5-14-9)8-3-6(18)7(24-8)4-23-25(19,20)21/h5-8,18H,2-4H2,1H3,(H2,13,15,16)(H2,19,20,21)/t6-,7+,8+/m0/s1 | | Definition date: | 1994-01-31 | | Last modified: | 2011-06-04 | | Identifier: | 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-ethoxy-9H-purin-2-amine |
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 | | G38 | | Name: | 3'-AMINO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H15 N6 O6 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(N)C3)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N6O6P/c11-4-1-6(22-5(4)2-21-23(18,19)20)16-3-13-7-8(16)14-10(12)15-9(7)17/h3-6H,1-2,11H2,(H2,18,19,20)(H3,12,14,15,17)/t4-,5+,6+/m0/s1 | | Definition date: | 1998-01-28 | | Last modified: | 2011-06-04 | | Identifier: | 3'-amino-2',3'-dideoxyguanosine 5'-(dihydrogen phosphate) |
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 | | G3B | | Name: | 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole | | Formula: | C18 H14 N2 O3 S | | SMILES: | O=S(c4ccc(c1c2cc(ccc2oc1)c3nnc(o3)C)cc4)C | | InChi: | InChI=1S/C18H14N2O3S/c1-11-19-20-18(23-11)13-5-8-17-15(9-13)16(10-22-17)12-3-6-14(7-4-12)24(2)21/h3-10H,1-2H3/t24-/m0/s1 | | Definition date: | 2009-02-19 | | Last modified: | 2011-06-04 | | Identifier: | 2-methyl-5-(3-{4-[(S)-methylsulfinyl]phenyl}-1-benzofuran-5-yl)-1,3,4-oxadiazole |
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 | | G3D | | Name: | GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE | | Formula: | C10 H16 N5 O14 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 2002-09-23 | | Last modified: | 2011-06-04 | | Identifier: | guanosine 3'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate) |
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 | | G3E | | Name: | 3-hydroxyquinolin-2(1H)-one | | Formula: | C9 H7 N O2 | | SMILES: | O=C2C(O)=Cc1c(cccc1)N2 | | InChi: | InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12) | | Definition date: | 2009-02-03 | | Last modified: | 2011-06-04 | | Identifier: | 3-hydroxyquinolin-2(1H)-one |
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 | | G3G | | Name: | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE) | | Formula: | C30 H33 N5 O4 S2 | | SMILES: | O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc(N)cc2)CNC3)Cc4ccccc4)c5ccc(N)cc5 | | InChi: | InChI=1S/C30H33N5O4S2/c31-25-11-15-27(16-12-25)40(36,37)34(21-23-7-3-1-4-8-23)29-19-33-20-30(29)35(22-24-9-5-2-6-10-24)41(38,39)28-17-13-26(32)14-18-28/h1-18,29-30,33H,19-22,31-32H2/t29-,30-/m0/s1 | | Definition date: | 2007-05-16 | | Last modified: | 2011-06-04 | | Identifier: | N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(4-amino-N-benzylbenzenesulfonamide) |
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 | | G3H | | Name: | GLYCERALDEHYDE-3-PHOSPHATE | | Formula: | C3 H7 O6 P | | SMILES: | O=P(OCC(O)C=O)(O)O | | InChi: | InChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate |
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 | | G47 | | Name: | N2-ETHANETHIOL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C12 H18 N5 O7 P S | | SMILES: | O=C1c2ncn(c2N=C(NCCS)N1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1S/C12H18N5O7PS/c18-6-3-8(24-7(6)4-23-25(20,21)22)17-5-14-9-10(17)15-12(13-1-2-26)16-11(9)19/h5-8,18,26H,1-4H2,(H2,20,21,22)(H2,13,15,16,19)/t6-,7+,8+/m0/s1 | | Definition date: | 1999-10-14 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-N-(2-sulfanylethyl)guanosine 5'-(dihydrogen phosphate) |
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 | | G49 | | Name: | N2-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(NC)N1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1S/C11H16N5O7P/c1-12-11-14-9-8(10(18)15-11)13-4-16(9)7-2-5(17)6(23-7)3-22-24(19,20)21/h4-7,17H,2-3H2,1H3,(H2,19,20,21)(H2,12,14,15,18)/t5-,6+,7+/m0/s1 | | Definition date: | 2000-01-24 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-N-methylguanosine 5'-(dihydrogen phosphate) |
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 | | G4G | | Name: | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | | Formula: | C32 H33 N5 O6 S2 | | SMILES: | O=S(=O)(N(C3C(N(Cc1ccccc1)S(=O)(=O)c2ccc(C(=O)N)cc2)CNC3)Cc4ccccc4)c5ccc(C(=O)N)cc5 | | InChi: | InChI=1S/C32H33N5O6S2/c33-31(38)25-11-15-27(16-12-25)44(40,41)36(21-23-7-3-1-4-8-23)29-19-35-20-30(29)37(22-24-9-5-2-6-10-24)45(42,43)28-17-13-26(14-18-28)32(34)39/h1-18,29-30,35H,19-22H2,(H2,33,38)(H2,34,39)/t29-,30-/m0/s1 | | Definition date: | 2007-05-16 | | Last modified: | 2011-06-04 | | Identifier: | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis(benzylsulfamoyl)]dibenzamide |
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 | | G4M | | Name: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | | Formula: | C24 H36 N7 O19 P3 | | SMILES: | O=P(OC2OC(C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC5OC(n3c4N=C(N)NC(=O)c4nc3)C(O)C5O | | InChi: | InChI=1S/C24H36N7O19P3/c1-8-15(32)11(10(3-26-8)5-45-51(38,39)40)4-27-13-9(2)47-23(19(36)17(13)34)49-53(43,44)50-52(41,42)46-6-12-16(33)18(35)22(48-12)31-7-28-14-20(31)29-24(25)30-21(14)37/h3,7,9,12-13,16-19,22-23,27,32-36H,4-6H2,1-2H3,(H,41,42)(H,43,44)(H2,38,39,40)(H3,25,29,30,37)/t9-,12-,13-,16-,17+,18-,19+,22-,23-/m1/s1 | | Definition date: | 2007-11-05 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | G50 | | Name: | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-1-ONE | | Formula: | C15 H14 O5 | | SMILES: | O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 | | InChi: | InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2 | | Definition date: | 2007-03-28 | | Last modified: | 2011-06-04 | | Identifier: | 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one |
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 | | G58 | | Name: | N-(2-chloro-6-fluorobenzyl)-1-methyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}-1H-imidazole-4-sulfonamide | | Formula: | C25 H23 Cl F N3 O4 S2 | | SMILES: | Cn1cnc(c1)[S](=O)(=O)N(Cc2ccc(cc2)c3cccc(c3)[S](C)(=O)=O)Cc4c(F)cccc4Cl | | InChi: | InChI=1S/C25H23ClFN3O4S2/c1-29-16-25(28-17-29)36(33,34)30(15-22-23(26)7-4-8-24(22)27)14-18-9-11-19(12-10-18)20-5-3-6-21(13-20)35(2,31)32/h3-13,16-17H,14-15H2,1-2H3 | | Definition date: | 2010-01-05 | | Last modified: | 2011-06-04 | | Identifier: | N-[(2-chloro-6-fluoro-phenyl)methyl]-1-methyl-N-[[4-(3-methylsulfonylphenyl)phenyl]methyl]imidazole-4-sulfonamide |
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 | | G5P | | Name: | P1-(5'-ADENOSYL)-P5-(5'-GUANOSYL) PENTAPHOSPHATE | | Formula: | C20 H29 N10 O23 P5 | | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O | | InChi: | InChI=1S/C20H29N10O23P5/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(48-18)1-46-54(36,37)50-56(40,41)52-58(44,45)53-57(42,43)51-55(38,39)47-2-7-11(32)13(34)19(49-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1 | | Definition date: | 2005-12-15 | | Last modified: | 2011-06-04 | | Identifier: | [[[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
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 | | G6G | | Name: | N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide | | Formula: | C35 H37 N9 O2 | | SMILES: | O=C(Nc4ccc(c(Nc3ncccc3c1ncnc(n1)Nc2ccc(OC)cc2)c4)C)c5ccc(cc5)CN6CCN(CC6)C | | InChi: | InChI=1S/C35H37N9O2/c1-24-6-11-28(39-34(45)26-9-7-25(8-10-26)22-44-19-17-43(2)18-20-44)21-31(24)41-32-30(5-4-16-36-32)33-37-23-38-35(42-33)40-27-12-14-29(46-3)15-13-27/h4-16,21,23H,17-20,22H2,1-3H3,(H,36,41)(H,39,45)(H,37,38,40,42) | | Definition date: | 2009-02-09 | | Last modified: | 2011-06-04 | | Identifier: | N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide |
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 | | G6Q | | Name: | GLUCOSE-6-PHOSPHATE | | Formula: | C6 H13 O9 P | | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)C=O | | InChi: | InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 | | Definition date: | 2001-09-14 | | Last modified: | 2011-06-04 | | Identifier: | 6-O-phosphono-D-glucose |
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 | | G88 | | Name: | (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID | | Formula: | C6 H11 O7 P | | SMILES: | O=P(O)(O)CC(C(=O)O)CCC(=O)O | | InChi: | InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1 | | Definition date: | 2006-12-07 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-2-(phosphonomethyl)pentanedioic acid |
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