anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 is A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the active R-enantiomer of sertaconazole and is used (as its nitrate salt) for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug. It has the role of non-steroidal anti-inflammatory drug . It has the role of antibacterial drug . It has the role of antipruritic drug . It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It is also related to or classified as 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  . It is also related to or classified as imidazole antifungal drug , conazole antifungal drug .
The molecule CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl CCC(C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)C(=O)CCl is A member of the class of benzamides obtained by formal condensation of the carboxy group of 3,5-dichloro-4-methylbenzamide with the amino group of 3-amino-1-chloro-3-methylpentan-2-one.  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides , alpha-chloroketone .
The molecule Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1 is A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of sertaconazole. It is also related to or classified as 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .
The molecule Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Sc3ccccc3)cc2)c(Cl)c1 is A 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole that is the (R)-enantiomer of fenticonazole. It is also related to or classified as 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole  .
The molecule CCNc1nc(CC)c(s1)C(=O)NC(C#N)c1cccs1 CCNc1nc(CC)c(s1)C(=O)NC(C#N)c1cccs1 is A member of the class of aromatic amides obtained by formal condensation of the carboxy group of 4-ethyl-2-(ethylamino)-1,3-thiazole-5-carboxylic acid with the amino group of amino(2-thienyl)acetonitrile. It is also related to or classified as nitrile  . It is also related to or classified as thiophenes , aromatic amine , 1,3-thiazoles , secondary amino compound , aromatic amide .
The molecule CCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO CCCCCCCCC\C=C\[C@@H](O)[C@@H]([NH3+])CO is A cationic sphingoid that is the conjugate acid of tetradecasphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of tetradecasphingosine . It is also related to or classified as sphingoid base(1+)  .
The molecule Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 Clc1ccc([C@@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 is A 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of isoconazole. It is also related to or classified as 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole  .
The molecule Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 is A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles , monochlorobenzenes .
The molecule Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 is A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group. It is also related to or classified as dichlorobenzene  .  It is also related to or classified as ether  . It is also related to or classified as imidazoles .
The molecule CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO is an organic cation that is the conjugate acid of tetradecaphytosphingosine, obtained by protonation of the primary amino function; major species at pH 7.3. It is a conjugate acid of tetradecaphytosphingosine . It is also related to or classified as sphingoid base(1+)  . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO CCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](N)CO is A sphingoid that is the C14-analogue of phytosphingosine.   It is also related to or classified as sphingoid  . It is also related to or classified as amino alcohol , triol .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)C(C)C CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@H](O)C(C)C is A sterol ester that is the 3-linoleoyl derivative of (24S)-24-hydroxycholesterol. Its functional parent is linoleic acid . It is also related to or classified as sterol ester  . It is also related to or classified as 24-hydroxy steroid .
The molecule CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(O)=O CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(O)=O is A long-chain omega-6 fatty acid that is docosanoic acid having three double bonds located at positions 10, 13 and 16 (the (10Z,13Z,16Z-geoisomer). It is a conjugate acid of (10Z,13Z,16Z)-docosatrienoate . It is also related to or classified as omega-6 fatty acid , docosatrienoic acid .
The molecule CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC([O-])=O CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC([O-])=O is A long-chain polyunsaturated fatty acid anion that is the conjugate base of (10Z,13Z,16Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as docosatrienoate  .
The molecule Nc1ccccc1C(=O)C(O)=O Nc1ccccc1C(=O)C(O)=O is A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group. It has the role of bacterial xenobiotic metabolite . Its functional parent is glyoxylic acid . It is a conjugate acid of 2-aminophenylglyoxylate . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as substituted aniline .
The molecule Nc1ccccc1C(=O)C([O-])=O Nc1ccccc1C(=O)C([O-])=O is A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-aminophenylglyoxylic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCCCC is A 1-acyl-2-octadecanoyl-sn-glycerol-3-phosphate in which the 1-acyl group is also octadecanoyl. It is a conjugate acid of 1,2-dioctadecanoyl-sn-glycerol-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate  . It is also related to or classified as phosphatidic acid  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCC is A 1-acyl-2-octadecanoyl-sn-glycerol-3-phosphate(2-) in which the 1-acyl group is also octadecanoyl; major species at pH 7.3. It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-)  .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1,2-diacyl-sn-glycerol 3-phosphate in which both phosphatidyl acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1,2-diacyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1,2-diacyl-sn-glycerol in which both the acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1,2-dicervonoylglycerol  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC is A 1,2-diacyl-sn-glycerol in which both acyl groups are specified as palmitoyl (hexadecanoyl). It has the role of mouse metabolite . It is also related to or classified as 1,2-diacyl-sn-glycerol  . It is also related to or classified as 1,2-dipalmitoylglycerol  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC is A fatty acid ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of oleic acid. It has the role of human metabolite . Its functional parent is oleic acid . Its functional parent is butan-1-ol . It is also related to or classified as fatty acid ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .
The molecule CCC(CO)C(O)=O CCC(CO)C(O)=O is A branched-chain saturated fatty acid that is butanoic acid substituted by a hydroxymethyl group at position 2. It is a metabolite derived from the isoleucine metabolism. It has the role of human metabolite . It is a conjugate acid of 2-ethylhydracrylate .  It is also related to or classified as short-chain fatty acid  . It is also related to or classified as hydroxy fatty acid , branched-chain saturated fatty acid .
The molecule CCc1cccc(OS(O)(=O)=O)c1 CCc1cccc(OS(O)(=O)=O)c1 is an aryl sulfate that is ethylbenzene substituted by a sulfooxy group at position 3. It has the role of human xenobiotic metabolite . It is also related to or classified as benzenes , aryl sulfate .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoyl and linoleoyl respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is linoleic acid . It is also related to or classified as 1,2-diacyl-sn-glycerol  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A 1,2-diacyl-sn-glycero-3-phosphocholine where the acyl groups at positions 1 and 2 are palmitoyl and icosanoyl respectively. Its functional parent is hexadecanoic acid . Its functional parent is icosanoic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphocholine  .
The molecule CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 CC(O)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1 is A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. It has the role of human xenobiotic metabolite . Its functional parent is pioglitazone . It is also related to or classified as pyridines , aromatic ether , thiazolidinediones .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC is A 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid . It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3-phosphate  . It is also related to or classified as 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)  .
The molecule CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 is A sulfonamide with a structure based on that of sulfanilamide substituted on the sulfonamide nitrogen by a (2R,3S)-4-phenyl-2-(phosphonooxy)-3-({[(3S)-tetrahydrofuran-3-yloxy]carbonyl}amino)butyl group. It is a pro-drug of the HIV protease inhibitor and antiretroviral drug amprenavir. It has the role of prodrug . Its functional parent is sulfanilamide . It is also related to or classified as sulfonamide  .
The molecule [Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O [Na+].C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O is an organic sodium salt that has 17beta-estradiol 17-glucosiduronate as the anion. It is also related to or classified as organic sodium salt .
The molecule [H+].[H+].COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C [H+].[H+].COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C is an organic cation obtained by protonation of the imidazole groups of daclatasvir. It is a conjugate acid of daclatasvir . It is also related to or classified as organic cation .
The molecule CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1 CN1C(=O)C(O)=C(N=C1C(C)(C)NC(=O)C1=NN=C(C)O1)C(=O)NCC1=CC=C(F)C=C1 is A pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection. It has the role of antiviral drug . It has the role of HIV-1 integrase inhibitor . It is also related to or classified as secondary carboxamide  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as dicarboxylic acid amide , pyrimidone , hydroxypyrimidine , 1,2,4-oxadiazole .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCC is A ceramide 1-phosphate in which the ceramide N-acyl group is specified as hexanoyl. Its functional parent is hexanoic acid . It is a conjugate acid of N-hexanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .
The molecule CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 CC(C)N1CCN(CC1)c1ccc(OCC2COC(Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 is A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by 2,4-dichlorophenyl, 1H-1,2,4-triazol-1-ylmethyl, and [4-(4-isopropylpiperazin-1-yl)phenoxy]methyl groups, respectively. It is also related to or classified as dichlorobenzene  . It is also related to or classified as aromatic ether , triazoles , dioxolane , N-alkylpiperazine , N-arylpiperazine , cyclic ketal .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCC is A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as hexanoyl; major species at pH 7.3. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 CC(C)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 is A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have R and S configuration, respectively. It is also related to or classified as 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine  .
The molecule COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C is A member of the class of biphenyls that is a potent inhibitor of nonstructural protein 5A and is used (as its hydrochloride salt) for treatment of hepatitis C. It has the role of antiviral drug . It has the role of nonstructural protein 5A inhibitor .     It is also related to or classified as carboxamide  . It is also related to or classified as biphenyls , carbamate ester , imidazoles , valine derivative .
The molecule Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 is A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (S)-enantiomer of paliperidone. It is also related to or classified as 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one  .
The molecule CC(C)CCCCCCOS([O-])(=O)=O CC(C)CCCCCCOS([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of 7-methyloctyl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .
The molecule COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 COCCOCCOCCOCCOCCOCCOCCO[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45 is an organic heteropentacyclic compound that is naloxone in which the keto group is replaced by a PEG moiety. Used for treatment of opioid-induced constipation. It has the role of mu-opioid receptor antagonist . It has the role of cathartic . Its functional parent is naloxone . It is also related to or classified as tertiary alcohol  . It is also related to or classified as phenols  .   It is also related to or classified as polyether  . It is also related to or classified as aromatic ether , organic heteropentacyclic compound .
The molecule CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 CC(C)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3cncn3)(O2)c2ccc(Cl)cc2Cl)cc1 is A 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine in which positions 2 and 4 of the 1,3-dioxolane moiety have S and R configuration, respectively. It is also related to or classified as 1-(4-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine  .
The molecule NC(CCC(=O)NC(Cc1ccccc1)C(O)=O)C(O)=O NC(CCC(=O)NC(Cc1ccccc1)C(O)=O)C(O)=O is A dipeptide composed of glutamic acid and phenylalanine joined together by a peptide linkage. It has the role of human metabolite . Its functional parent is glutamic acid . Its functional parent is phenylalanine . It is also related to or classified as dipeptide  .
The molecule CCC(CO)C([O-])=O CCC(CO)C([O-])=O is A hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid. It has the role of human metabolite . It is also related to or classified as hydroxy fatty acid anion .
The molecule CC(C)CCCC\C=C/CCOS([O-])(=O)=O CC(C)CCCC\C=C/CCOS([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .
The molecule CC(C)CCCC\C=C/CCOS(O)(=O)=O CC(C)CCCC\C=C/CCOS(O)(=O)=O is A sulfuric ester obtained by the formal condensation of (3Z)-9-methyldec-3-en-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z)-9-methyldec-3-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .
The molecule CC(C)CCCCCCOS(O)(=O)=O CC(C)CCCCCCOS(O)(=O)=O is an alkyl sulfate that is 7-methyloctyl ester of sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of 7-methyloctyl sulfate . It is also related to or classified as alkyl sulfate .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(N)=O CCCCC\C=C/C\C=C/CCCCCCCC(N)=O is A fatty amide obtained from  linoleic acid. It has the role of human metabolite . Its functional parent is linoleic acid . It is also related to or classified as primary fatty amide  .
The molecule CC\C=C/C\C=C/CCCOS(O)(=O)=O CC\C=C/C\C=C/CCCOS(O)(=O)=O is A  sulfuric ester obtained by the formal condensation of (4Z,7Z)-deca-4,7-dien-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (4Z,7Z)-deca-4,7-dien-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .
The molecule CCCCCCCC\C=C/CCOS(O)(=O)=O CCCCCCCC\C=C/CCOS(O)(=O)=O is A sulfuric ester obtained by the formal condensation of (3Z)-dodec-3-en-1-ol with sulfuric acid. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is a conjugate acid of (3Z)-dodec-3-en-1-yl sulfate .  It is also related to or classified as sulfuric ester  . It is also related to or classified as organic sulfate .
The molecule CC\C=C/C\C=C/CCCOS([O-])(=O)=O CC\C=C/C\C=C/CCCOS([O-])(=O)=O is an organosulfate oxoanion that is the conjugate base of (4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii. It has the role of kairomone . It has the role of Daphnia pulex metabolite . It is also related to or classified as organosulfate oxoanion  .