 | | PFG | | Name: | 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID | | Formula: | C39 H44 N8 O15 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2ccc3NC(=NC(=O)c3c2)N)CCC(=O)O | | InChi: | InChI=1S/C39H44N8O15/c1-2-17-47(19-20-3-8-24-23(18-20)34(54)46-39(40)45-24)22-6-4-21(5-7-22)33(53)44-28(38(61)62)11-15-31(50)42-26(36(57)58)9-13-29(48)41-25(35(55)56)10-14-30(49)43-27(37(59)60)12-16-32(51)52/h1,3-8,18,25-28H,9-17,19H2,(H,41,48)(H,42,50)(H,43,49)(H,44,53)(H,51,52)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H3,40,45,46,54)/t25-,26-,27?,28-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)carbonyl]-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid |
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 | | PFQ | | Name: | 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL | | Formula: | C20 H17 N3 O2 | | SMILES: | n1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO | | InChi: | InChI=1S/C20H17N3O2/c24-12-11-21-19-17-16(14-7-3-1-4-8-14)18(15-9-5-2-6-10-15)25-20(17)23-13-22-19/h1-10,13,24H,11-12H2,(H,21,22,23) | | Definition date: | 2005-05-04 | | Last modified: | 2011-06-04 | | Identifier: | 2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol |
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 | | PFT | | Name: | 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol | | Formula: | C15 H13 N O3 | | SMILES: | O=C(c1ccc(O)cc1O)N3Cc2ccccc2C3 | | InChi: | InChI=1S/C15H13NO3/c17-12-5-6-13(14(18)7-12)15(19)16-8-10-3-1-2-4-11(10)9-16/h1-7,17-18H,8-9H2 | | Definition date: | 2009-10-22 | | Last modified: | 2011-06-04 | | Identifier: | 1,3-dihydro-2H-isoindol-2-yl(2,4-dihydroxyphenyl)methanone |
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 | | 53N | | Name: | 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid | | Formula: | C13 H11 N O4 S | | SMILES: | O=C(O)CCc1sc(cc1)c2cccc([N+]([O-])=O)c2 | | InChi: | InChI=1S/C13H11NO4S/c15-13(16)7-5-11-4-6-12(19-11)9-2-1-3-10(8-9)14(17)18/h1-4,6,8H,5,7H2,(H,15,16) | | Definition date: | 2008-07-03 | | Last modified: | 2011-06-04 | | Identifier: | 3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid |
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 | | PG8 | | Name: | 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL) | | Formula: | C22 H42 O10 P | | SMILES: | O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CCCCCCC)CCCCCCC | | InChi: | InChI=1S/C22H43O10P/c1-3-5-7-9-11-13-21(25)29-17-20(32-22(26)14-12-10-8-6-4-2)18-31-33(27,28)30-16-19(24)15-23/h19-20,23-24H,3-18H2,1-2H3,(H,27,28)/p-1/t19-,20-/m1/s1 | | Definition date: | 2004-08-02 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2,3-bis(octanoyloxy)propyl (2R)-2,3-dihydroxypropyl phosphate |
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 | | PGD | | Name: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE | | Formula: | C20 H24 N10 O13 P2 S2 | | SMILES: | O=C6N=C(N=C1C6=NC2C(S)=C(S)C(OC2N1)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c4N=C(N)NC3=O)C(O)C5O)N | | InChi: | InChI=1S/C20H24N10O13P2S2/c21-19-26-13-7(15(33)28-19)24-6-12(47)11(46)5(41-17(6)25-13)2-40-45(37,38)43-44(35,36)39-1-4-9(31)10(32)18(42-4)30-3-23-8-14(30)27-20(22)29-16(8)34/h3-6,9-10,17-18,31-32,46-47H,1-2H2,(H,35,36)(H,37,38)(H3,22,27,29,34)(H3,21,25,26,28,33)/t4-,5-,6+,9-,10-,17-,18-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(R)-{[(R)-{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-disulfanyl-5a,8,9a,10-tetrahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine |
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 | | PGE | | Name: | TRIETHYLENE GLYCOL | | Formula: | C6 H14 O4 | | SMILES: | OCCOCCOCCO | | InChi: | InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 2,2'-[ethane-1,2-diylbis(oxy)]diethanol |
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 | | PGI | | Name: | (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C16 H21 N2 O4 | | SMILES: | OCC2[n+]1cc(nc1C(O)C(O)C2O)CCc3ccccc3 | | InChi: | InChI=1S/C16H20N2O4/c19-9-12-13(20)14(21)15(22)16-17-11(8-18(12)16)7-6-10-4-2-1-3-5-10/h1-5,8,12-15,19-22H,6-7,9H2/p+1/t12-,13-,14+,15-/m1/s1 | | Definition date: | 2006-02-10 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | PGL | | Name: | (aminomethyl)phosphonic acid | | Formula: | C H6 N O3 P | | SMILES: | O=P(O)(O)CN | | InChi: | InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (aminomethyl)phosphonic acid |
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 | | PGN | | Name: | 2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O10 P2 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1 | | Definition date: | 2001-07-02 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxyguanosine 3',5'-bis(dihydrogen phosphate) |
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 | | PGP | | Name: | GUANOSINE-3',5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O11 P2 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | guanosine 3',5'-bis(dihydrogen phosphate) |
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 | | PGS | | Name: | 2-DEAZO-6-THIOPHOSPHATE GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H15 N4 O10 P2 S | | SMILES: | O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3OC(C(O)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 9-(5-O-phosphono-beta-D-ribofuranosyl)-6-(phosphonosulfanyl)-9H-purin-1-ium |
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 | | PH0 | | Name: | N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine | | Formula: | C27 H31 N2 O5 P | | SMILES: | O=C(O)C(NC(=O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3ccccc3 | | InChi: | InChI=1S/C27H31N2O5P/c28-25(18-22-14-8-3-9-15-22)35(33,34)19-23(16-20-10-4-1-5-11-20)26(30)29-24(27(31)32)17-21-12-6-2-7-13-21/h1-15,23-25H,16-19,28H2,(H,29,30)(H,31,32)(H,33,34)/t23-,24+,25-/m1/s1 | | Definition date: | 2007-10-18 | | Last modified: | 2011-06-04 | | Identifier: | N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine |
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 | | PH3 | | Name: | N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE | | Formula: | C7 H8 Cl N3 O | | SMILES: | Clc1ccc(NC(=[N@H])NO)cc1 | | InChi: | InChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11) | | Definition date: | 1999-12-16 | | Last modified: | 2011-06-04 | | Identifier: | 1-(4-chlorophenyl)-3-hydroxyguanidine |
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 | | PH4 | | Name: | 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate | | Formula: | C5 H13 N O10 P2 | | SMILES: | O=P(O)(OCCCN(O)C(=O)COP(=O)(O)O)O | | InChi: | InChI=1S/C5H13NO10P2/c7-5(4-16-18(12,13)14)6(8)2-1-3-15-17(9,10)11/h8H,1-4H2,(H2,9,10,11)(H2,12,13,14) | | Definition date: | 2008-02-04 | | Last modified: | 2011-06-04 | | Identifier: | 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate |
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 | | PH7 | | Name: | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID | | Formula: | C22 H16 Br N O4 | | SMILES: | Brc3ccccc3Oc2ccc(/C=C(/C(=O)O)NC(=O)c1ccccc1)cc2 | | InChi: | InChI=1S/C22H16BrNO4/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14- | | Definition date: | 2005-02-22 | | Last modified: | 2011-06-04 | | Identifier: | (2Z)-3-[4-(2-bromophenoxy)phenyl]-2-[(phenylcarbonyl)amino]prop-2-enoic acid |
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 | | PH9 | | Name: | (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID | | Formula: | C26 H28 Br N O4 | | SMILES: | Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24CC3CC(CC(C2)C3)C4 | | InChi: | InChI=1S/C26H28BrNO4/c27-21-3-1-2-4-23(21)32-20-7-5-16(6-8-20)12-22(24(29)30)28-25(31)26-13-17-9-18(14-26)11-19(10-17)15-26/h1-8,17-19,22H,9-15H2,(H,28,31)(H,29,30)/t17-,18+,19-,22?,26+ | | Definition date: | 2005-03-18 | | Last modified: | 2011-06-04 | | Identifier: | O-(2-bromophenyl)-N-[(3S,5S,7S)-tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl]-D-tyrosine |
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 | | PHG | | Name: | PHENYLMERCURY | | Formula: | C6 H5 Hg | | SMILES: | [Hg]c1ccccc1 | | InChi: | InChI=1S/C6H5.Hg/c1-2-4-6-5-3-1 | | Definition date: | 1999-09-09 | | Last modified: | 2011-06-04 | | Identifier: | phenylmercury |
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 | | PHK | | Name: | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL | | Formula: | C10 H14 Cl N O | | SMILES: | ClCC(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H14ClNO/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2/t9-,10-/m0/s1 | | Definition date: | 2002-10-01 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S)-3-amino-1-chloro-4-phenylbutan-2-ol |
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 | | PHN | | Name: | 1,10-PHENANTHROLINE | | Formula: | C12 H8 N2 | | SMILES: | n1c3c(ccc1)ccc2cccnc23 | | InChi: | InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1,10-phenanthroline |
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 | | PHR | | Name: | 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE | | Formula: | C16 H27 N4 O11 P | | SMILES: | O=C1C2=C(NC(=O)N1)N(C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C16H27N4O11P/c21-8-10(23)12(24)9(22)7-20-13-11(14(25)18-15(26)17-13)19(16(20)27)5-3-1-2-4-6-31-32(28,29)30/h9-10,12,21-24H,1-8H2,(H2,28,29,30)(H2,17,18,25,26)/t9-,10-,12+/m1/s1 | | Definition date: | 2005-12-09 | | Last modified: | 2011-06-04 | | Identifier: | 1-deoxy-1-{2,6,8-trioxo-7-[6-(phosphonooxy)hexyl]-1,2,3,6,7,8-hexahydro-9H-purin-9-yl}-D-arabinitol |
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 | | PHT | | Name: | PHTHALIC ACID | | Formula: | C8 H6 O4 | | SMILES: | O=C(O)c1ccccc1C(=O)O | | InChi: | InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | benzene-1,2-dicarboxylic acid |
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 | | PHY | | Name: | 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID | | Formula: | C6 H15 N O7 P2 | | SMILES: | O=P(OP(=O)(O)O)(C(N)C)CC(C(=O)O)C | | InChi: | InChI=1S/C6H15NO7P2/c1-4(6(8)9)3-15(10,5(2)7)14-16(11,12)13/h4-5H,3,7H2,1-2H3,(H,8,9)(H2,11,12,13)/t4-,5-,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-[(R)-[(1S)-1-aminoethyl](phosphonooxy)phosphoryl]-2-methylpropanoic acid |
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 | | PI0 | | Name: | (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide | | Formula: | C26 H36 N6 O5 S | | SMILES: | O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C(=[N@H])N)CCC(=O)N)C(C)CC)Cc2ccccc2 | | InChi: | InChI=1S/C26H36N6O5S/c1-3-17(2)23(32-38(36,37)16-19-7-5-4-6-8-19)26(35)31-21(13-14-22(27)33)25(34)30-15-18-9-11-20(12-10-18)24(28)29/h4-12,17,21,23,32H,3,13-16H2,1-2H3,(H2,27,33)(H3,28,29)(H,30,34)(H,31,35)/t17-,21+,23-/m1/s1 | | Definition date: | 2008-06-30 | | Last modified: | 2011-06-04 | | Identifier: | N-(benzylsulfonyl)-D-isoleucyl-N~1~-(4-carbamimidoylbenzyl)-L-glutamamide |
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 | | 5Z5 | | Name: | 5-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE | | Formula: | C17 H16 Cl N3 O2 | | SMILES: | O=C(NC)c1c(c(nc1C)/C=C3/c2cc(Cl)ccc2NC3=O)C | | InChi: | InChI=1S/C17H16ClN3O2/c1-8-14(20-9(2)15(8)17(23)19-3)7-12-11-6-10(18)4-5-13(11)21-16(12)22/h4-7,20H,1-3H3,(H,19,23)(H,21,22)/b12-7- | | Definition date: | 2006-04-25 | | Last modified: | 2011-06-04 | | Identifier: | 5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide |
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