 | | LBN | | Name: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine | | Formula: | C42 H82 N O8 P | | SMILES: | C(C(COC(CCCCCCCCCCCCCCC)=O)OC(CCCCCCCC=[C@H]CCCCCCCC)=O)OP(OCC[N+](C)(C)C)([O-])=O | | InChi: | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m1/s1 | | Synonyms: | (2R)-2-[(9Z)-9-Octadecenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate | | Definition date: | 2013-02-14 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-08 | | Identifier: | (2R)-3-(hexadecanoyloxy)-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate |
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 | | CGB | | Name: | CALYSTEGINE B2 | | Formula: | C7 H13 N O4 | | SMILES: | OC12NC(CC1)C(O)C(O)C2O | | InChi: | InChI=1S/C7H13NO4/c9-4-3-1-2-7(12,8-3)6(11)5(4)10/h3-6,8-12H,1-2H2/t3-,4+,5-,6+,7-/m1/s1 | | Synonyms: | (1S,2R,3S,4R,5S)-8-AZABICYCLO[3.2.1]OCTANE-1,2,3,4-TETROL | | Definition date: | 2006-01-09 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2S,3R,4S,5R)-8-azabicyclo[3.2.1]octane-1,2,3,4-tetrol |
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 | | CGS | | Name: | N-HYDROXY-2(R)-[[(4-METHOXYPHENYL)SULFONYL](3-PICOLYL)AMINO]-3-METHYLBUTANAMIDE HYDROCHLORIDE | | Formula: | C18 H23 N3 O5 S | | SMILES: | O=C(NO)C(N(S(=O)(=O)c1ccc(OC)cc1)Cc2cccnc2)C(C)C | | InChi: | InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1 | | Synonyms: | CGS-27023A | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-N~2~-(pyridin-3-ylmethyl)-D-valinamide |
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 | | CGT | | Name: | CARBA-GLUCOTROPAEOLIN | | Formula: | C15 H21 N O8 S2 | | SMILES: | O=S(=O)(O)ON=C(/SC1CC(C(O)C(O)C1O)CO)Cc2ccccc2 | | InChi: | InChI=1S/C15H21NO8S2/c17-8-10-7-11(14(19)15(20)13(10)18)25-12(16-24-26(21,22)23)6-9-4-2-1-3-5-9/h1-5,10-11,13-15,17-20H,6-8H2,(H,21,22,23)/b16-12-/t10-,11-,13-,14+,15+/m1/s1 | | Synonyms: | (1S,2S,3R,4S,5S)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL (1E)-2-PHENYL-N-(SULFOOXY)ETHANIMIDOTHIOATE | | Definition date: | 2004-10-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,2R,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl (1Z)-2-phenyl-N-(sulfooxy)ethanimidothioate |
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 | | CH9 | | Name: | 2-HYDROXYBIPHENYL | | Formula: | C12 H10 O | | SMILES: | Oc2ccccc2c1ccccc1 | | InChi: | InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H | | Synonyms: | 1,1'-BIPHENYL-2-OL | | Definition date: | 2005-09-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-08-19 | | Identifier: | biphenyl-2-ol |
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 | | CHH | | Name: | N,N,N-TRIMETHYL-4-OXOPENTAN-1-AMINIUM | | Formula: | C8 H18 N O | | SMILES: | O=C(C)CCC[N+](C)(C)C | | InChi: | InChI=1S/C8H18NO/c1-8(10)6-5-7-9(2,3)4/h5-7H2,1-4H3/q+1 | | Synonyms: | 4-KETOAMYLTRIMETHYLAMMONIUM | | Definition date: | 2006-06-14 | | Last modified: | 2020-06-17 | | Identifier: | N,N,N-trimethyl-4-oxopentan-1-aminium |
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 | | CHQ | | Name: | CYCLO-(L-HISTIDINE-L-PROLINE) INHIBITOR | | Formula: | C11 H14 N4 O2 | | SMILES: | O=C1N3CCCC3C(=O)NC1Cc2cncn2 | | InChi: | InChI=1S/C11H14N4O2/c16-10-9-2-1-3-15(9)11(17)8(14-10)4-7-5-12-6-13-7/h5-6,8-9H,1-4H2,(H,12,13)(H,14,16)/t8-,9-/m0/s1 | | Synonyms: | (3S,8AR)-3-(1H-IMIDAZOL-5-YLMETHYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | (3S,8aS)-3-(1H-imidazol-5-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
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 | | CHR | | Name: | NEOCARZINOSTATIN-CHROMOPHORE | | Formula: | C35 H33 N O12 | | SMILES: | O=C1OCC(O1)C23C#CC=7C(=CC#CC3O2)C(OC4OC(C(O)C(O)C4NC)C)C(OC(=O)c6c5cc(OC)cc(c5ccc6O)C)C=7 | | InChi: | InChI=1S/C35H33NO12/c1-16-12-19(42-4)14-22-20(16)8-9-23(37)27(22)32(40)45-24-13-18-10-11-35(26-15-43-34(41)46-26)25(48-35)7-5-6-21(18)31(24)47-33-28(36-3)30(39)29(38)17(2)44-33/h6,8-9,12-14,17,24-26,28-31,33,36-39H,15H2,1-4H3/b21-6+/t17-,24-,25-,26-,28-,29+,30-,31-,33-,35+/m1/s1 | | Synonyms: | NCS-CHROMOPHORE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1aS,5R,6R,6aE,9aR)-6-{[2,6-dideoxy-2-(methylamino)-alpha-D-galactopyranosyl]oxy}-1a-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3,8,9-tetradehydro-1a,5,6,9a-tetrahydrocyclopenta[5,6]cyclonona[1,2-b]oxiren-5-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate |
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 | | CHZ | | Name: | 1,8-dihydroxyanthracene-9,10-dione | | Formula: | C14 H8 O4 | | SMILES: | O=C2c1cccc(O)c1C(=O)c3c2cccc3O | | InChi: | InChI=1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)12-8(13(7)17)4-2-6-10(12)16/h1-6,15-16H | | Synonyms: | Chrysazin | | Definition date: | 2009-06-08 | | Last modified: | 2020-06-17 | | Identifier: | 1,8-dihydroxyanthracene-9,10-dione |
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 | | CI4 | | Name: | 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one | | Formula: | C15 H11 Cl F N O3 | | SMILES: | Clc1cccc(c1F)CN3C(=O)c2c(O)c(O)ccc2C3 | | InChi: | InChI=1S/C15H11ClFNO3/c16-10-3-1-2-9(13(10)17)7-18-6-8-4-5-11(19)14(20)12(8)15(18)21/h1-5,19-20H,6-7H2 | | Synonyms: | XZ-116 | | Definition date: | 2012-10-08 | | Last modified: | 2020-06-17 | | Release date: | 2012-10-26 | | Identifier: | 2-(3-chloro-2-fluorobenzyl)-6,7-dihydroxy-2,3-dihydro-1H-isoindol-1-one |
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 | | CIB | | Name: | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID [1-(1-FORMYL-PENTYLCARBAMOYL)-3-METHYL-BUTYL]-AMIDE | | Formula: | C20 H37 N3 O4 | | SMILES: | O=C(NC(C(=O)NC(C(=O)NC(C=O)CCCC)CC(C)C)CC(C)C)C | | InChi: | InChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1 | | Synonyms: | CALPAIN IHIBITOR I | | Definition date: | 2003-01-22 | | Last modified: | 2020-06-17 | | Identifier: | N-acetyl-L-leucyl-N-[(1S)-1-formylpentyl]-L-leucinamide |
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 | | CIS | | Name: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE | | Formula: | C48 H91 N O11 S | | SMILES: | O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCC=C/CCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO | | InChi: | InChI=1S/C48H91NO11S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2)40-58-48-46(54)47(60-61(55,56)57)45(53)43(39-50)59-48/h17-18,35,37,41-43,45-48,50-51,53-54H,3-16,19-34,36,38-40H2,1-2H3,(H,49,52)(H,55,56,57)/b18-17-,37-35+/t41-,42+,43+,45-,46+,47-,48+/m0/s1 | | Synonyms: | (2S,3R,4E)-N-NERVONIC-1-[BETA-D-(3-SULFATE)-GALACTOPYRANOSYL]-2-AMINO-OCTADECENE-3-OL | | Definition date: | 2005-09-26 | | Last modified: | 2020-06-17 | | Identifier: | (15Z)-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracos-15-enamide |
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 | | CIY | | Name: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal | | Formula: | C10 H10 O3 | | SMILES: | O=CC=Cc1cc(OC)c(O)cc1 | | InChi: | InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+ | | Synonyms: | Coniferaldehyde | | Definition date: | 2010-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal |
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 | | CK4 | | Name: | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-2-AMINE | | Formula: | C16 H13 F3 N4 S | | SMILES: | FC(F)(F)c1ccc(cc1)Nc3nc(c2sc(nc2C)C)ccn3 | | InChi: | InChI=1S/C16H13F3N4S/c1-9-14(24-10(2)21-9)13-7-8-20-15(23-13)22-12-5-3-11(4-6-12)16(17,18)19/h3-8H,1-2H3,(H,20,22,23) | | Synonyms: | 4-(2,4-DIMETHYL-THIAZOL-5-YL)-PYRIMIDIN-2-YL]-(4-TRIFLUOROMETHYL-PHENYL)-AMINE | | Definition date: | 2003-07-07 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine |
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 | | CKR | | Name: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one | | Formula: | C15 H19 N7 O2 | | SMILES: | O=C2NC(=Nc1cc3nc(nc3cc12)NCCN4CCOCC4)N | | InChi: | InChI=1S/C15H19N7O2/c16-14-18-10-8-12-11(7-9(10)13(23)21-14)19-15(20-12)17-1-2-22-3-5-24-6-4-22/h7-8H,1-6H2,(H2,17,19,20)(H3,16,18,21,23) | | Synonyms: | 6-Amino-2-[(2-morpholin-4-ylethyl)amino]-8-oxo-7,8-dihydro-1H-imidazo[4,5-G]quinazolin | | Definition date: | 2008-01-30 | | Last modified: | 2020-06-17 | | Identifier: | 6-amino-2-[(2-morpholin-4-ylethyl)amino]-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one |
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 | | CL5 | | Name: | N-(3-OXOPROPYL)GLYCINE | | Formula: | C5 H9 N O3 | | SMILES: | O=CCCNCC(=O)O | | InChi: | InChI=1S/C5H9NO3/c7-3-1-2-6-4-5(8)9/h3,6H,1-2,4H2,(H,8,9) | | Synonyms: | FRAGMENT OF CLAVULANIC ACID | | Definition date: | 2006-10-11 | | Last modified: | 2020-06-17 | | Identifier: | N-(3-oxopropyl)glycine |
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 | | CLT | | Name: | 4-PHENYL-BUTANOIC ACID | | Formula: | C10 H12 O2 | | SMILES: | O=C(O)CCCc1ccccc1 | | InChi: | InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12) | | Synonyms: | GAMMA-PHENYL-BUTYRIC ACID | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-phenylbutanoic acid |
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 | | CLW | | Name: | CHLORZOXAZONE | | Formula: | C7 H4 Cl N O2 | | SMILES: | Clc2cc1c(OC(=O)N1)cc2 | | InChi: | InChI=1S/C7H4ClNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10) | | Synonyms: | 5-CHLORO-2-BENZOXAZOLONE | | Definition date: | 2002-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 5-chloro-1,3-benzoxazol-2(3H)-one |
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 | | CM5 | | Name: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE | | Formula: | C23 H42 O11 | | SMILES: | O(CCCCCC1CCCCC1)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO | | InChi: | InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | | Synonyms: | 5-CYCLOHEXYLPENTYL 4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSIDE | | Definition date: | 2005-10-27 | | Last modified: | 2020-06-17 | | Identifier: | 5-cyclohexylpentyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | CMK | | Name: | CYTIDINE 5'-MONOPHOSPHATE 3-DEOXY-BETA-D-GULO-OCT-2-ULO-PYRANOSONIC ACID | | Formula: | C17 H26 N3 O15 P | | SMILES: | O=C(O)C1(OC(C(O)CO)C(O)C(O)C1)OP(=O)(O)OCC3OC(N2C(=O)N=C(N)C=C2)C(O)C3O | | InChi: | InChI=1S/C17H26N3O15P/c18-9-1-2-20(16(29)19-9)14-12(26)11(25)8(33-14)5-32-36(30,31)35-17(15(27)28)3-6(22)10(24)13(34-17)7(23)4-21/h1-2,6-8,10-14,21-26H,3-5H2,(H,27,28)(H,30,31)(H2,18,19,29)/t6-,7-,8-,10-,11-,12-,13-,14-,17-/m1/s1 | | Synonyms: | CMP-2-KETO-3-DEOXY-OCTULOSONIC ACID | | Definition date: | 2001-11-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4R,5R,6R)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-6-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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 | | CMZ | | Name: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol | | Formula: | C15 H23 N O3 | | SMILES: | OC(CN1CCOCC1)COc2cc(ccc2C)C | | InChi: | InChI=1S/C15H23NO3/c1-12-3-4-13(2)15(9-12)19-11-14(17)10-16-5-7-18-8-6-16/h3-4,9,14,17H,5-8,10-11H2,1-2H3/t14-/m0/s1 | | Synonyms: | (S)-1-(2,5-dimethylphenoxy)-3-morpholinopropan-2-ol | | Definition date: | 2007-07-16 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-1-(2,5-dimethylphenoxy)-3-morpholin-4-ylpropan-2-ol |
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 | | CNH | | Name: | 2-HYDROXY-2-METHYLPROPANENITRILE | | Formula: | C4 H7 N O | | SMILES: | N#CC(O)(C)C | | InChi: | InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3 | | Synonyms: | ACETONE CYANOHYDRIN | | Definition date: | 2000-09-20 | | Last modified: | 2020-06-17 | | Identifier: | 2-hydroxy-2-methylpropanenitrile |
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 | | CNL | | Name: | 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE | | Formula: | C10 H18 O | | SMILES: | O2C1(CCC(CC1)C2(C)C)C | | InChi: | InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+ | | Synonyms: | 1,8-CINEOLE | | Definition date: | 2005-04-04 | | Last modified: | 2020-06-17 | | Identifier: | (1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane |
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 | | CNU | | Name: | 5-CYANO-URIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H12 N3 O9 P | | SMILES: | N#CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C10H12N3O9P/c11-1-4-2-13(10(17)12-8(4)16)9-7(15)6(14)5(22-9)3-21-23(18,19)20/h2,5-7,9,14-15H,3H2,(H,12,16,17)(H2,18,19,20)/t5-,6-,7-,9-/m1/s1 | | Synonyms: | 5-cyano-UMP | | Definition date: | 2007-12-14 | | Last modified: | 2020-06-17 | | Identifier: | 5-cyanouridine 5'-(dihydrogen phosphate) |
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 | | CNX | | Name: | heptanenitrile | | Formula: | C7 H13 N | | SMILES: | N#CCCCCCC | | InChi: | InChI=1S/C7H13N/c1-2-3-4-5-6-7-8/h2-6H2,1H3 | | Synonyms: | 1-cyanohexane | | Definition date: | 2008-06-04 | | Last modified: | 2020-06-17 | | Identifier: | heptanenitrile |
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