 | | R5P | | Name: | RIBOSE-5-PHOSPHATE | | Formula: | C5 H11 O8 P | | SMILES: | O=P(OCC(O)C(O)C(O)C=O)(O)O | | InChi: | InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1 | | Definition date: | 2001-06-19 | | Last modified: | 2024-09-27 | | Identifier: | 5-O-phosphono-D-ribose |
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 | | CFT | | Name: | TRIFLUOROMETHANE | | Formula: | C H F3 | | SMILES: | FC(F)F | | InChi: | InChI=1S/CHF3/c2-1(3)4/h1H | | Definition date: | 2003-01-31 | | Last modified: | 2024-09-27 | | Identifier: | trifluoromethane |
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 | | CFU | | Name: | (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | Formula: | C10 H14 N2 O4 S | | SMILES: | O=CC(NC(=O)C)C1SCC(=C(C(=O)O)N1)C | | InChi: | InChI=1S/C10H14N2O4S/c1-5-4-17-9(12-8(5)10(15)16)7(3-13)11-6(2)14/h3,7,9,12H,4H2,1-2H3,(H,11,14)(H,15,16)/t7-,9-/m1/s1 | | Definition date: | 2014-09-05 | | Last modified: | 2024-09-27 | | Release date: | 2014-09-17 | | Identifier: | (2R)-2-[(1R)-1-(acetylamino)-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | CFY | | Name: | [(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid | | Formula: | C23 H22 N4 O5 S | | SMILES: | O=C(O)CN1C(=O)C(N=C1C2=NC(O)(SC2)C(N)Cc3ccccc3)=Cc4ccc(O)cc4 | | InChi: | InChI=1S/C23H22N4O5S/c24-19(11-14-4-2-1-3-5-14)23(32)26-18(13-33-23)21-25-17(22(31)27(21)12-20(29)30)10-15-6-8-16(28)9-7-15/h1-10,19,28,32H,11-13,24H2,(H,29,30)/b17-10-/t19-,23+/m0/s1 | | Synonyms: | CHROMOPHORE (PHE-CYS-TYR-GLY) | | Definition date: | 2006-02-14 | | Last modified: | 2024-09-27 | | Identifier: | [(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | CG6 | | Name: | beta-Methyl-Cysteine | | Formula: | C4 H9 N O2 S | | SMILES: | C[CH](S)[CH](N)C(O)=O | | InChi: | InChI=1S/C4H9NO2S/c1-2(8)3(5)4(6)7/h2-3,8H,5H2,1H3,(H,6,7)/t2-,3+/m1/s1 | | Definition date: | 2015-11-26 | | Last modified: | 2024-09-27 | | Release date: | 2016-07-06 | | Identifier: | (2~{R},3~{R})-2-azanyl-3-sulfanyl-butanoic acid |
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 | | R6E | | Name: | (2~{R})-2-azanyl-2-ethyl-octanoic acid | | Formula: | C10 H21 N O2 | | SMILES: | CCCCCC[C](N)(CC)C(O)=O | | InChi: | InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1 | | Definition date: | 2019-05-03 | | Last modified: | 2024-09-27 | | Release date: | 2020-03-18 | | Identifier: | (2~{R})-2-azanyl-2-ethyl-octanoic acid |
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 | | CGA | | Name: | CARBOXYMETHYLATED GLUTAMIC ACID | | Formula: | C7 H11 N O6 | | SMILES: | O=C(O)COC(=O)CCC(C(=O)O)N | | InChi: | InChI=1S/C7H11NO6/c8-4(7(12)13)1-2-6(11)14-3-5(9)10/h4H,1-3,8H2,(H,9,10)(H,12,13) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-amino-5-(carboxymethoxy)-5-oxopentanoic acid (non-preferred name) |
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 | | CGK | | Name: | 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid | | Formula: | C19 H27 N5 O16 P2 S | | SMILES: | O=C(O)CCC1(OC2C(O)C(OC2S1)COP(=O)(O)OP(=O)(OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O)O)O | | InChi: | InChI=1S/C19H27N5O16P2S/c20-15-10-16(22-5-21-15)24(6-23-10)17-13(29)11(27)7(37-17)3-35-41(31,32)40-42(33,34)36-4-8-12(28)14-18(38-8)43-19(30,39-14)2-1-9(25)26/h5-8,11-14,17-18,27-30H,1-4H2,(H,25,26)(H,31,32)(H,33,34)(H2,20,21,22)/t7-,8-,11-,12-,13-,14-,17-,18-,19-/m1/s1 | | Definition date: | 2012-06-11 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid (non-preferred name) |
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 | | CGL | | Name: | CYSTINE-GLUTATHIONE | | Formula: | C13 H22 N4 O8 S2 | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CSSCC(C(=O)O)N)CCC(C(=O)O)N | | InChi: | InChI=1S/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-amino-5-({3-[(2-amino-2-carboxyethyl)disulfanyl]-1-[(carboxymethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoic acid (non-preferred name) |
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 | | CGN | | Name: | 5-OXO-PYRROLIDINE-2-CARBALDEHYDE | | Formula: | C5 H7 N O2 | | SMILES: | O=CC1NC(=O)CC1 | | InChi: | InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-5-oxopyrrolidine-2-carbaldehyde |
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 | | CGU | | Name: | GAMMA-CARBOXY-GLUTAMIC ACID | | Formula: | C6 H9 N O6 | | SMILES: | O=C(O)C(C(=O)O)CC(N)C(=O)O | | InChi: | InChI=1S/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-aminopropane-1,1,3-tricarboxylic acid |
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 | | CGV | | Name: | S-[(R)-carboxy(hydroxy)methyl]-L-cysteine | | Formula: | C5 H9 N O5 S | | SMILES: | O=C(O)C(O)SCC(C(=O)O)N | | InChi: | InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1 | | Definition date: | 2014-01-22 | | Last modified: | 2024-09-27 | | Release date: | 2014-10-15 | | Identifier: | S-[(R)-carboxy(hydroxy)methyl]-L-cysteine |
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 | | R74 | | Name: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide | | Formula: | C18 H19 N3 O4 S | | SMILES: | O=C(C(CS)NC(Cc2ccc1OCOc1c2)=O)NCc3ccncc3 | | InChi: | InChI=1S/C18H19N3O4S/c22-17(8-13-1-2-15-16(7-13)25-11-24-15)21-14(10-26)18(23)20-9-12-3-5-19-6-4-12/h1-7,14,26H,8-11H2,(H,20,23)(H,21,22)/t14-/m0/s1 | | Definition date: | 2020-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-08-05 | | Identifier: | N~2~-[(2H-1,3-benzodioxol-5-yl)acetyl]-N-[(pyridin-4-yl)methyl]-L-cysteinamide |
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 | | R7A | | Name: | S-[(4-bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Formula: | C10 H17 Br N O3 S2 | | SMILES: | BrC1=C(C(N(O)C1(C)C)(C)C)CSS(=O)(=O)C | | InChi: | InChI=1S/C10H18BrNO3S2/c1-9(2)7(6-16-17(5,14)15)8(11)10(3,4)12(9)13/h13H,6H2,1-5H3 | | Definition date: | 2005-07-19 | | Last modified: | 2024-09-27 | | Identifier: | S-[(4-bromo-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate |
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 | | CH4 | | Name: | 3-[(2-AMINOETHYL)AMINO]-2-{[(2-AMINOETHYL)AMINO]METHYL}PROPANAL | | Formula: | C8 H20 N4 O | | SMILES: | O=CC(CNCCN)CNCCN | | InChi: | InChI=1S/C8H20N4O/c9-1-3-11-5-8(7-13)6-12-4-2-10/h7-8,11-12H,1-6,9-10H2 | | Definition date: | 2005-02-09 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(2-aminoethyl)amino]-2-{[(2-aminoethyl)amino]methyl}propanal |
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 | | CH6 | | Name: | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | | Formula: | C16 H19 N3 O4 S | | SMILES: | O=C1C(N=C(N1CC(=O)O)C(N)CCSC)=Cc2ccc(O)cc2 | | InChi: | InChI=1S/C16H19N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,8,12,20H,6-7,9,17H2,1H3,(H,21,22)/b13-8-/t12-/m0/s1 | | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | | Definition date: | 2004-08-30 | | Last modified: | 2024-09-27 | | Identifier: | {(4Z)-2-[(1S)-1-amino-3-(methylsulfanyl)propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | R7D | | Name: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide | | Formula: | C18 H18 F3 N3 O3 S | | SMILES: | SCC(C(NCc1ncccc1)=O)NC(C(c2ccc(cc2)C(F)(F)F)O)=O | | InChi: | InChI=1S/C18H18F3N3O3S/c19-18(20,21)12-6-4-11(5-7-12)15(25)17(27)24-14(10-28)16(26)23-9-13-3-1-2-8-22-13/h1-8,14-15,25,28H,9-10H2,(H,23,26)(H,24,27)/t14-,15+/m0/s1 | | Definition date: | 2020-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-08-05 | | Identifier: | N~2~-{(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl}-N-[(pyridin-2-yl)methyl]-L-cysteinamide |
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 | | CH7 | | Name: | [(4Z)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-2-(3,4,5,6-TETRAHYDROPYRIDIN-2-YL)-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C17 H17 N3 O4 | | SMILES: | O=C2C(N=C(C1=NCCCC1)N2CC(=O)O)=Cc3ccc(O)cc3 | | InChi: | InChI=1S/C17H17N3O4/c21-12-6-4-11(5-7-12)9-14-17(24)20(10-15(22)23)16(19-14)13-3-1-2-8-18-13/h4-7,9,21H,1-3,8,10H2,(H,22,23)/b14-9- | | Synonyms: | CHROMOPHORE (LYS-TYR-GLY) | | Definition date: | 2004-08-31 | | Last modified: | 2024-09-27 | | Identifier: | [(4Z)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-2-(3,4,5,6-tetrahydropyridin-2-yl)-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
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 | | R7G | | Name: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6
-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid | | Formula: | C27 H28 N8 O12 S | | SMILES: | O=C1N(C(c2c1cc(c(c2)O)O)=O)CCNC(=O)C=3CN(NC=3C(O)=O)CC(C=O)NC(=O)C(=N/OC(C)(C)C(O)=O)c4csc(n4)N | | InChi: | InChI=1S/C27H28N8O12S/c1-27(2,25(45)46)47-33-19(15-10-48-26(28)31-15)21(40)30-11(9-36)7-34-8-14(18(32-34)24(43)44)20(39)29-3-4-35-22(41)12-5-16(37)17(38)6-13(12)23(35)42/h5-6,9-11,32,37-38H,3-4,7-8H2,1-2H3,(H2,28,31)(H,29,39)(H,30,40)(H,43,44)(H,45,46)/b33-19-/t11-/m0/s1 | | Synonyms: | YU253434 | | Definition date: | 2020-02-05 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-13 | | Identifier: | 1-[(2S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-oxopropyl]-4-{[2-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]carbamoyl}-2,5-dihydro-1H-pyrazole-3-carboxylic acid |
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 | | CHG | | Name: | CYCLOHEXYL-GLYCINE | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)C(N)C1CCCCC1 | | InChi: | InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-amino(cyclohexyl)ethanoic acid |
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 | | R7Q | | Name: | 2-methyl-1-(4-methylphenyl)propan-1-one | | Formula: | C11 H14 O | | SMILES: | CC(C)C(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C11H14O/c1-8(2)11(12)10-6-4-9(3)5-7-10/h4-8H,1-3H3 | | Synonyms: | 2,4'-Dimethylpropiophenone | | Definition date: | 2020-09-17 | | Last modified: | 2024-09-27 | | Release date: | 2020-12-02 | | Identifier: | 2-methyl-1-(4-methylphenyl)propan-1-one |
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 | | CHM | | Name: | 1,3-DICHLORO-PROPAN-2-ONE | | Formula: | C3 H4 Cl2 O | | SMILES: | ClCC(=O)CCl | | InChi: | InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2 | | Synonyms: | Bis(chloromethyl) ketone | | Definition date: | 2002-11-15 | | Last modified: | 2024-09-27 | | Identifier: | 1,3-dichloropropan-2-one |
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 | | R7U | | Name: | RUTHENIUM WIRE, 7 CARBON LINKER | | Formula: | C47 H65 N7 O Ru | | SMILES: | O(c1cccc(N(C)C)c1)CCCCCCCC4=C3C=CC2=CC=CN8C2=C3N(C=C4)[Ru]86%11(N7C(C5N6CCCC5)CCCC7)N9CCC=CC9C%10N%11CCCC%10 | | InChi: | InChI=1S/C27H31N3O.C10H18N2.C10H16N2.Ru/c1-30(2)23-12-8-13-24(20-23)31-19-7-5-3-4-6-10-21-16-18-29-27-25(21)15-14-22-11-9-17-28-26(22)27 | | Synonyms: | BIS[1H,1'H-2,2'-BIPYRIDINATO(2-)-KAPPA~2~N~1~,N~1'~][3-{[7-(1,10-DIHYDRO-1,10-PHENANTHROLIN-4-YL-KAPPA~2~N~1~,N~10~)HEP
TYL]OXY}-N,N-DIMETHYLANILINATO(2-)]RUTHENIUM | | Definition date: | 2006-02-24 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,2'R)-2,2'-bipiperidinato(2-)-kappa~2~N~1~,N~1'~][3-{[7-(1,10-dihydro-1,10-phenanthrolin-4-yl-kappa~2~N~1~,N~10~)heptyl]oxy}-N,N-dimethylanilinato(2-)][(6R)-6-[(2S)-piperidin-2-yl-kappaN]-1,2,3,6-tetrahydropyridinato(2-)-kappaN]ruthenium |
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 | | CHP | | Name: | 3-CHLORO-4-HYDROXYPHENYLGLYCINE | | Formula: | C8 H8 Cl N O3 | | SMILES: | Clc1cc(ccc1O)C(C(=O)O)N | | InChi: | InChI=1S/C8H8ClNO3/c9-5-3-4(1-2-6(5)11)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-amino(3-chloro-4-hydroxyphenyl)ethanoic acid |
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 | | CHS | | Name: | 4-AMINO-5-CYCLOHEXYL-3-HYDROXY-PENTANOIC ACID | | Formula: | C11 H21 N O3 | | SMILES: | O=C(O)CC(O)C(N)CC1CCCCC1 | | InChi: | InChI=1S/C11H21NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-amino-5-cyclohexyl-2,4,5-trideoxy-L-threo-pentonic acid |
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