 | | 3UM | | Name: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid | | Formula: | C20 H30 O4 | | SMILES: | O=C(O)C3(C)C2(O)C(C1CC=C(/C=C)C(C1CC2O)C)(C)CCC3 | | InChi: | InChI=1S/C20H30O4/c1-5-13-7-8-15-14(12(13)2)11-16(21)20(24)18(15,3)9-6-10-19(20,4)17(22)23/h5,7,12,14-16,21,24H,1,6,8-11H2,2-4H3,(H,22,23)/t12-,14-,15-,16+,18+,19+,20-/m0/s1 | | Definition date: | 2014-11-05 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid |
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 | | 3V2 | | Name: | [(1R)-1-aminopropyl]phosphonic acid | | Formula: | C3 H10 N O3 P | | SMILES: | O=P(O)(O)C(N)CC | | InChi: | InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)/t3-/m1/s1 | | Definition date: | 2014-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-11 | | Identifier: | [(1R)-1-aminopropyl]phosphonic acid |
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 | | 3V3 | | Name: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid | | Formula: | C11 H23 N O6 | | SMILES: | O=C(O)CCOCCOCCOCCOCCN | | InChi: | InChI=1S/C11H23NO6/c12-2-4-16-6-8-18-10-9-17-7-5-15-3-1-11(13)14/h1-10,12H2,(H,13,14) | | Definition date: | 2014-11-09 | | Last modified: | 2024-09-27 | | Release date: | 2015-02-11 | | Identifier: | 1-amino-3,6,9,12-tetraoxapentadecan-15-oic acid |
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 | | 3V5 | | Name: | (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline | | Formula: | C11 H19 N3 O4 S | | SMILES: | O=C(C(C=O)C1NC(C(=O)O)C(SCNCN)C1)C | | InChi: | InChI=1S/C11H19N3O4S/c1-6(16)7(3-15)8-2-9(19-5-13-4-12)10(14-8)11(17)18/h3,7-10,13-14H,2,4-5,12H2,1H3,(H,17,18)/t7-,8-,9-,10-/m0/s1 | | Synonyms: | olivanic acid analog, open from | | Definition date: | 2014-11-05 | | Last modified: | 2024-09-27 | | Release date: | 2015-07-29 | | Identifier: | (3S,5S)-3-({[(aminomethyl)amino]methyl}sulfanyl)-5-[(2S)-1,3-dioxobutan-2-yl]-L-proline |
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 | | 3V7 | | Name: | 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol | | Formula: | C6 H11 N3 O2 | | SMILES: | OCCCn1nnc(c1)CO | | InChi: | InChI=1S/C6H11N3O2/c10-3-1-2-9-4-6(5-11)7-8-9/h4,10-11H,1-3,5H2 | | Definition date: | 2014-11-11 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | 3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]propan-1-ol |
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 | | 3V8 | | Name: | (4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline | | Formula: | C10 H14 N4 O4 | | SMILES: | O=C(O)C2NCC(n1nnc(c1)CCC(=O)O)C2 | | InChi: | InChI=1S/C10H14N4O4/c15-9(16)2-1-6-5-14(13-12-6)7-3-8(10(17)18)11-4-7/h5,7-8,11H,1-4H2,(H,15,16)(H,17,18)/t7-,8-/m0/s1 | | Definition date: | 2014-11-12 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | (4S)-4-[4-(2-carboxyethyl)-1H-1,2,3-triazol-1-yl]-L-proline |
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 | | 3VF | | Name: | N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide | | Formula: | C24 H20 Cl2 N4 O3 | | SMILES: | N#Cc1nc(ccn1)CNC(=O)c3ccc(OC)c(C(=O)C(c2cc(Cl)cc(Cl)c2)(C)C)c3 | | InChi: | InChI=1S/C24H20Cl2N4O3/c1-24(2,15-9-16(25)11-17(26)10-15)22(31)19-8-14(4-5-20(19)33-3)23(32)29-13-18-6-7-28-21(12-27)30-18/h4-11H,13H2,1-3H3,(H,29,32) | | Definition date: | 2014-11-13 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | N-[(2-cyanopyrimidin-4-yl)methyl]-3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxybenzamide |
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 | | 3VJ | | Name: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide | | Formula: | C22 H23 Cl2 N3 O4 | | SMILES: | Clc1cc(cc(Cl)c1)C(C(=O)c2cc(C(=O)NCC(=O)NCC=[N@H])ccc2OC)(C)C | | InChi: | InChI=1S/C22H23Cl2N3O4/c1-22(2,14-9-15(23)11-16(24)10-14)20(29)17-8-13(4-5-18(17)31-3)21(30)27-12-19(28)26-7-6-25/h4-6,8-11,25H,7,12H2,1-3H3,(H,26,28)(H,27,30)/b25-6- | | Definition date: | 2014-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | 3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-N-(2-{[(2Z)-2-iminoethyl]amino}-2-oxoethyl)-4-methoxybenzamide |
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 | | 3VK | | Name: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide | | Formula: | C22 H34 Cl2 N4 O5 S | | SMILES: | Clc1cc(cc(Cl)c1)C(C(=O)NC(C(=O)NCC(=O)NCCCS(=O)(=O)C)C(C)(C)C)NCC | | InChi: | InChI=1S/C22H34Cl2N4O5S/c1-6-25-18(14-10-15(23)12-16(24)11-14)20(30)28-19(22(2,3)4)21(31)27-13-17(29)26-8-7-9-34(5,32)33/h10-12,18-19,25H,6-9,13H2,1-5H3,(H,26,29)(H,27,31)(H,28,30)/t18-,19+/m0/s1 | | Definition date: | 2014-11-14 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | N-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetyl]-3-methyl-L-valyl-N-[3-(methylsulfonyl)propyl]glycinamide |
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 | | 3VT | | Name: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid | | Formula: | C15 H15 B N2 O5 | | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nccnc1)c(c(c23)C)C | | InChi: | InChI=1S/C15H15BN2O5/c1-8-9(2)15-10(16(21)23-12(15)6-14(19)20)5-11(8)22-13-7-17-3-4-18-13/h3-5,7,12,21H,6H2,1-2H3,(H,19,20)/t12-/m1/s1 | | Definition date: | 2014-11-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-08-05 | | Identifier: | [(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid |
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 | | 3VU | | Name: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid | | Formula: | C13 H14 B N3 O5 S | | SMILES: | O=C(O)CC3OB(O)c2cc(Oc1nc(ns1)N)c(c(c23)C)C | | InChi: | InChI=1S/C13H14BN3O5S/c1-5-6(2)11-7(14(20)22-9(11)4-10(18)19)3-8(5)21-13-16-12(15)17-23-13/h3,9,20H,4H2,1-2H3,(H2,15,17)(H,18,19)/t9-/m1/s1 | | Definition date: | 2014-11-19 | | Last modified: | 2024-09-27 | | Release date: | 2015-08-05 | | Identifier: | {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid |
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 | | 3W9 | | Name: | 4-(diethylamino)benzaldehyde | | Formula: | C11 H15 N O | | SMILES: | O=Cc1ccc(N(CC)CC)cc1 | | InChi: | InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3 | | Definition date: | 2014-11-24 | | Last modified: | 2024-09-27 | | Release date: | 2015-01-14 | | Identifier: | 4-(diethylamino)benzaldehyde |
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 | | 3WS | | Name: | N,2-dimethyl-L-alanine | | Formula: | C5 H11 N O2 | | SMILES: | O=C(O)C(NC)(C)C | | InChi: | InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8) | | Definition date: | 2014-12-01 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-25 | | Identifier: | N,2-dimethyl-L-alanine |
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 | | 3WT | | Name: | (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid | | Formula: | C10 H21 N O3 | | SMILES: | O=C(O)CC(OC)C(NC)C(C)CC | | InChi: | InChI=1S/C10H21NO3/c1-5-7(2)10(11-3)8(14-4)6-9(12)13/h7-8,10-11H,5-6H2,1-4H3,(H,12,13)/t7-,8+,10-/m0/s1 | | Definition date: | 2014-12-01 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-25 | | Identifier: | (3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoic acid |
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 | | 3WU | | Name: | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid | | Formula: | C9 H17 N O3 | | SMILES: | O=C(O)C(C(OC)C1NCCC1)C | | InChi: | InChI=1S/C9H17NO3/c1-6(9(11)12)8(13-2)7-4-3-5-10-7/h6-8,10H,3-5H2,1-2H3,(H,11,12)/t6-,7+,8-/m1/s1 | | Definition date: | 2014-12-01 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-25 | | Identifier: | (2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoic acid |
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 | | CNE | | Name: | (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID | | Formula: | C31 H36 Cl F N2 O8 S | | SMILES: | Clc1cccc(F)c1CSCC(=O)C(NC(=O)C(NC(=O)Cc2cc(C=CC(=O)OC)ccc2OCC)C(C)C)CC(=O)O | | InChi: | InChI=1S/C31H36ClFN2O8S/c1-5-43-26-11-9-19(10-12-29(40)42-4)13-20(26)14-27(37)35-30(18(2)3)31(41)34-24(15-28(38)39)25(36)17-44-16-21-22(32)7-6-8-23(21)33/h6-13,18,24,30H,5,14-17H2,1-4H3,(H,34,41)(H,35,37)(H,38,39)/b12-10+/t24-,30-/m0/s1 | | Definition date: | 2003-11-24 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-5-[(2-chloro-6-fluorobenzyl)sulfanyl]-3-{[N-({2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetyl)-L-valyl]amino}-4-oxopentanoic acid |
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 | | CNT | | Name: | N-METHYL-META-CHLORO-TYROSINE | | Formula: | C10 H12 Cl N O3 | | SMILES: | Clc1cc(ccc1O)CC(C(=O)O)NC | | InChi: | InChI=1S/C10H12ClNO3/c1-12-8(10(14)15)5-6-2-3-9(13)7(11)4-6/h2-4,8,12-13H,5H2,1H3,(H,14,15)/t8-/m0/s1 | | Synonyms: | N-METHYL-3-CHLORO-TYROSINE | | Definition date: | 2003-07-31 | | Last modified: | 2024-09-27 | | Identifier: | 3-chloro-N-methyl-L-tyrosine |
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 | | CO2 | | Name: | CARBON DIOXIDE | | Formula: | C O2 | | SMILES: | O=C=O | | InChi: | InChI=1S/CO2/c2-1-3 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | dioxomethane |
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 | | COA | | Name: | COENZYME A | | Formula: | C21 H36 N7 O16 P3 S | | SMILES: | O=C(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate (non-preferred name) |
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 | | COI | | Name: | 2-OXO-4-METHYLPENTANOIC ACID | | Formula: | C6 H10 O3 | | SMILES: | O=C(C(=O)O)CC(C)C | | InChi: | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) | | Synonyms: | alpha-ketoisocaproic acid | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 4-methyl-2-oxopentanoic acid |
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 | | COM | | Name: | 1-THIOETHANESULFONIC ACID | | Formula: | C2 H6 O3 S2 | | SMILES: | O=S(=O)(O)CCS | | InChi: | InChI=1S/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5) | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 2-sulfanylethanesulfonic acid |
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 | | CP5 | | Name: | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE | | Formula: | C9 H6 O5 P | | SMILES: | O=C([O-])C(=C/OP(=O)=O)c1ccccc1 | | InChi: | InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6- | | Definition date: | 2004-03-03 | | Last modified: | 2024-09-27 | | Identifier: | (2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate |
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 | | CPA | | Name: | 2'-DEOXYCYTIDINE-2'-DEOXYADENOSINE-3',5'-MONOPHOSPHATE | | Formula: | C19 H25 N8 O9 P | | SMILES: | O=C1N=C(N)C=CN1C5OC(CO)C(OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)CC4O)C5 | | InChi: | InChI=1S/C19H25N8O9P/c20-13-1-2-26(19(30)25-13)15-4-10(11(5-28)34-15)36-37(31,32)33-6-12-9(29)3-14(35-12)27-8-24-16-17(21)22-7-23-18(16)27/h1-2,7-12,14-15,28-29H,3-6H2,(H,31,32)(H2,20,25,30)(H2,21,22,23)/t9-,10-,11+,12+,14+,15+/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methyl hydrogen (R)-phosphate (non-preferred name) |
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 | | CPC | | Name: | 2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACID | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1(NC)CC1C | | InChi: | InChI=1S/C6H11NO2/c1-4-3-6(4,7-2)5(8)9/h4,7H,3H2,1-2H3,(H,8,9)/t4-,6-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-2-methyl-1-(methylamino)cyclopropanecarboxylic acid |
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 | | CPI | | Name: | 6-CARBOXYPIPERIDINE | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1NCCCC1 | | InChi: | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2R)-piperidine-2-carboxylic acid |
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