 | | 6G4 | | Name: | 4-oxononanoyl lysine | | Formula: | C15 H28 N2 O4 | | SMILES: | CCCCCC(=O)CCC(=O)NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C15H28N2O4/c1-2-3-4-7-12(18)9-10-14(19)17-11-6-5-8-13(16)15(20)21/h13H,2-11,16H2,1H3,(H,17,19)(H,20,21)/t13-/m0/s1 | | Synonyms: | Nepsilon | | Definition date: | 2016-05-12 | | Last modified: | 2024-09-27 | | Release date: | 2017-05-03 | | Identifier: | (2~{S})-2-azanyl-6-(4-oxidanylidenenonanoylamino)hexanoic acid |
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 | | PXL | | Name: | 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE | | Formula: | C8 H9 N O3 | | SMILES: | O=Cc1c(cnc(c1O)C)CO | | InChi: | InChI=1S/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3 | | Synonyms: | PYRIDOXAL | | Definition date: | 2004-05-24 | | Last modified: | 2024-09-27 | | Identifier: | 3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde |
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 | | 6G5 | | Name: | 4-chloro-L-tryptophan | | Formula: | C11 H11 Cl N2 O2 | | SMILES: | O=C(O)C(N)Cc1c[NH]c2cccc(Cl)c21 | | InChi: | InChI=1S/C11H11ClN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)/t8-/m0/s1 | | Definition date: | 2021-08-05 | | Last modified: | 2024-09-27 | | Release date: | 2022-08-03 | | Identifier: | 4-chloro-L-tryptophan |
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 | | PXP | | Name: | PYRIDOXINE-5'-PHOSPHATE | | Formula: | C8 H12 N O6 P | | SMILES: | O=P(O)(O)OCc1cnc(c(O)c1CO)C | | InChi: | InChI=1S/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14) | | Definition date: | 2000-12-12 | | Last modified: | 2024-09-27 | | Identifier: | [5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
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 | | PXQ | | Name: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | | Formula: | C33 H42 N4 O6 | | SMILES: | CC[CH]1[CH](C)C(=O)N=C1Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)CC)c(C)c3CCC(O)=O)c(CCC(O)=O)c2C | | InChi: | InChI=1S/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h13,19-20,34-35H,7-12,14-15H2,1-6H3,(H,36,43)(H,38,39)(H,40,41)/b26-13-/t19-,20-/m1/s1 | | Definition date: | 2020-05-01 | | Last modified: | 2024-09-27 | | Release date: | 2021-01-20 | | Identifier: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(~{Z})-(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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 | | PXS | | Name: | (2S)-propane-1,2-diyl dihexadecanoate | | Formula: | C35 H68 O4 | | SMILES: | O=C(OC(C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1 | | Definition date: | 2009-09-25 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-propane-1,2-diyl dihexadecanoate |
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 | | PXU | | Name: | 2-hydroxy-L-proline | | Formula: | C5 H9 N O3 | | SMILES: | O=C(O)C1(O)NCCC1 | | InChi: | InChI=1S/C5H9NO3/c7-4(8)5(9)2-1-3-6-5/h6,9H,1-3H2,(H,7,8)/t5-/m1/s1 | | Definition date: | 2012-10-03 | | Last modified: | 2024-09-27 | | Release date: | 2012-10-05 | | Identifier: | 2-hydroxy-L-proline |
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 | | PXW | | Name: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium | | Formula: | C24 H24 Cl N4 O S | | SMILES: | S/C(N)=[N+]1C2CC(NC(=O)c3ccc(cc3Cl)c3cccc(c3)C3(C#N)CC3)C1CC2 | | InChi: | InChI=1S/C24H23ClN4OS/c25-19-11-15(14-2-1-3-16(10-14)24(13-26)8-9-24)4-6-18(19)22(30)28-20-12-17-5-7-21(20)29(17)23(27)31/h1-4,6,10-11,17,20-21H,5,7-9,12H2,(H3,27,28,30,31)/p+1/t17-,20+,21+/m0/s1 | | Definition date: | 2022-05-31 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-01 | | Identifier: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium |
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 | | PXY | | Name: | PARA-XYLENE | | Formula: | C8 H10 | | SMILES: | c1cc(ccc1C)C | | InChi: | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1,4-dimethylbenzene |
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 | | PXZ | | Name: | 2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-10-DEHYDRO-PHENOXAZIN-3-ONE | | Formula: | C16 H12 N2 O6 | | SMILES: | O=CC=2C1=Nc3c(OC1=C(C(=O)C=2N)C)c(ccc3C=O)C | | InChi: | InChI=1S/C16H12N2O6/c1-5-3-4-7(15(20)21)10-13(5)24-14-6(2)12(19)9(17)8(16(22)23)11(14)18-10/h3-4H,17H2,1-2H3,(H,20,21)(H,22,23) | | Synonyms: | PHENOXAZINE | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-amino-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarbaldehyde |
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 | | PY0 | | Name: | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate | | Formula: | C3 H8 N O3 | | SMILES: | [O-]C(O)(N)C(O)C | | InChi: | InChI=1S/C3H8NO3/c1-2(5)3(4,6)7/h2,5-6H,4H2,1H3/q-1/t2-,3+/m0/s1 | | Definition date: | 2009-01-21 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-1-amino-1,2-dihydroxypropan-1-olate |
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 | | PY4 | | Name: | 2-[O-PHOSPHONOPYRIDOXYL]-AMINO- BUTYRIC ACID | | Formula: | C12 H19 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC | | InChi: | InChI=1S/C12H19N2O7P/c1-3-10(12(16)17)14-5-9-8(6-21-22(18,19)20)4-13-7(2)11(9)15/h4,10,14-15H,3,5-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m1/s1 | | Synonyms: | VITAMIN B6 COMPLEXED WITH 2-AMINO-BUTYRIC ACID | | Definition date: | 1999-08-18 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acid |
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 | | PYA | | Name: | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | | Formula: | C15 H13 N3 O2 | | SMILES: | O=C(O)C(N)Cc3nc2c(ccc1cccnc12)cc3 | | InChi: | InChI=1S/C15H13N3O2/c16-12(15(19)20)8-11-6-5-10-4-3-9-2-1-7-17-13(9)14(10)18-11/h1-7,12H,8,16H2,(H,19,20)/t12-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-(1,10-phenanthrolin-2-yl)-L-alanine |
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 | | PYD | | Name: | 2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE | | Formula: | C6 H9 N3 | | SMILES: | n1c(N)c(cnc1C)C | | InChi: | InChI=1S/C6H9N3/c1-4-3-8-5(2)9-6(4)7/h3H,1-2H3,(H2,7,8,9) | | Definition date: | 1999-09-13 | | Last modified: | 2024-09-27 | | Identifier: | 2,5-dimethylpyrimidin-4-amine |
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 | | 6H1 | | Name: | 6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol | | Formula: | C15 H11 F3 O3 | | SMILES: | c1(ccc(cc1)C(F)(F)F)Cc3c(cc2OCOc2c3)O | | InChi: | InChI=1S/C15H11F3O3/c16-15(17,18)11-3-1-9(2-4-11)5-10-6-13-14(7-12(10)19)21-8-20-13/h1-4,6-7,19H,5,8H2 | | Definition date: | 2016-04-08 | | Last modified: | 2024-09-27 | | Release date: | 2016-05-04 | | Identifier: | 6-{[4-(trifluoromethyl)phenyl]methyl}-2H-1,3-benzodioxol-5-ol |
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 | | 6H3 | | Name: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide | | Formula: | C24 H28 Cl N7 O | | SMILES: | c3(cnc(Nc1ccc(cc1)N2CCN(C)CC2)nc3Nc4ccccc4NC(=O)CC)Cl | | InChi: | InChI=1S/C24H28ClN7O/c1-3-22(33)28-20-6-4-5-7-21(20)29-23-19(25)16-26-24(30-23)27-17-8-10-18(11-9-17)32-14-12-31(2)13-15-32/h4-11,16H,3,12-15H2,1-2H3,(H,28,33)(H2,26,27,29,30) | | Definition date: | 2016-04-08 | | Last modified: | 2024-09-27 | | Release date: | 2017-02-15 | | Identifier: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide |
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 | | PYJ | | Name: | PHENYLETHANE | | Formula: | C8 H10 | | SMILES: | c1ccccc1CC | | InChi: | InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 | | Definition date: | 2013-12-19 | | Last modified: | 2024-09-27 | | Release date: | 2013-12-25 | | Identifier: | ethylbenzene |
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 | | 6H4 | | Name: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide | | Formula: | C24 H25 Cl N6 O2 | | SMILES: | c2c(ccc(N1CCN(C)CC1)c2)Nc4ncc(Cl)c(Oc3ccccc3NC(C=C)=O)n4 | | InChi: | InChI=1S/C24H25ClN6O2/c1-3-22(32)28-20-6-4-5-7-21(20)33-23-19(25)16-26-24(29-23)27-17-8-10-18(11-9-17)31-14-12-30(2)13-15-31/h3-11,16H,1,12-15H2,2H3,(H,28,32)(H,26,27,29) | | Definition date: | 2016-04-08 | | Last modified: | 2024-09-27 | | Release date: | 2017-02-15 | | Identifier: | N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
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 | | PYR | | Name: | PYRUVIC ACID | | Formula: | C3 H4 O3 | | SMILES: | O=C(C(=O)O)C | | InChi: | InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-oxopropanoic acid |
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 | | PYS | | Name: | 2-PYRIDINETHIOL | | Formula: | C5 H5 N S | | SMILES: | Sc1ncccc1 | | InChi: | InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | pyridine-2-thiol |
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 | | 6HF | | Name: | N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide | | Formula: | C26 H27 N7 O2 | | SMILES: | CN1CCN(CC1)c2ccc(cc2)Nc5nc3nccc3c(Oc4ccc(cc4)NC(=O)[C@H]=C)n5 | | InChi: | InChI=1S/C26H27N7O2/c1-3-23(34)28-18-6-10-21(11-7-18)35-25-22-12-13-27-24(22)30-26(31-25)29-19-4-8-20(9-5-19)33-16-14-32(2)15-17-33/h3-13H,1,14-17H2,2H3,(H,28,34)(H2,27,29,30,31) | | Synonyms: | CPT-1691 | | Definition date: | 2016-04-11 | | Last modified: | 2024-09-27 | | Release date: | 2017-02-15 | | Identifier: | N-{4-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide |
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 | | PYX | | Name: | S-[S-THIOPYRIDOXAMINYL]CYSTEINE | | Formula: | C11 H17 N3 O3 S2 | | SMILES: | O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C | | InChi: | InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 3-({[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl}disulfanyl)-L-alanine |
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 | | 6HJ | | Name: | (R)-1-(3-(4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one | | Formula: | C22 H23 N7 O | | SMILES: | c12ncnc(c1c(nn2C3CN(C(/C=C)=O)CCC3)c5c4ccccc4n(c5)C)N | | InChi: | InChI=1S/C22H23N7O/c1-3-18(30)28-10-6-7-14(11-28)29-22-19(21(23)24-13-25-22)20(26-29)16-12-27(2)17-9-5-4-8-15(16)17/h3-5,8-9,12-14H,1,6-7,10-11H2,2H3,(H2,23,24,25)/t14-/m1/s1 | | Definition date: | 2016-04-12 | | Last modified: | 2024-09-27 | | Release date: | 2016-08-17 | | Identifier: | 1-{(3R)-3-[4-amino-3-(1-methyl-1H-indol-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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 | | 6HL | | Name: | (R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one | | Formula: | C23 H22 N6 O | | SMILES: | c12ncnc(c1c(nn2C3CN(C([C@H]=C)=O)CCC3)c5c4ccccc4ccc5)N | | InChi: | InChI=1S/C23H22N6O/c1-2-19(30)28-12-6-9-16(13-28)29-23-20(22(24)25-14-26-23)21(27-29)18-11-5-8-15-7-3-4-10-17(15)18/h2-5,7-8,10-11,14,16H,1,6,9,12-13H2,(H2,24,25,26)/t16-/m1/s1 | | Definition date: | 2016-04-12 | | Last modified: | 2024-09-27 | | Release date: | 2016-08-17 | | Identifier: | 1-{(3R)-3-[4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one |
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 | | PZN | | Name: | 3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION | | Formula: | C28 H44 N7 O6 | | SMILES: | [O-]C(=O)CC(C(=O)CN(CCCCCC)C)NC(=O)C(N1C(=O)C(=NC(=C1)C(C)(C)C)NCc2nonc2C)CC | | InChi: | InChI=1S/C28H45N7O6/c1-8-10-11-12-13-34(7)16-22(36)19(14-24(37)38)30-26(39)21(9-2)35-17-23(28(4,5)6)31-25(27(35)40)29-15-20-18(3)32-41-33-20/h17,19,21H,8-16H2,1-7H3,(H,29,31)(H,30,39)(H,37,38)/p-1/t19-,21-/m0/s1 | | Definition date: | 2003-11-19 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-({(2S)-2-[5-tert-butyl-3-{[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino}-2-oxopyrazin-1(2H)-yl]butanoyl}amino)-5-[hexyl(methyl)amino]-4-oxopentanoate |
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