anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCN(CC)CCNC(=O)c1ccc(N)cc1 CCN(CC)CCNC(=O)c1ccc(N)cc1 is A benzamide that is 4-aminobenzamide substituted on the amide N by a 2-(diethylamino)ethyl group.  It is a pharmaceutical antiarrhythmic agent used for the medical treatment of cardiac arrhythmias. It has the role of anti-arrhythmia drug . It has the role of sodium channel blocker . It has the role of platelet aggregation inhibitor . It is also related to or classified as benzamides .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC is A long-chain alkane consisting of an unbranched chain of 44 carbon atoms. It has the role of human metabolite . It is also related to or classified as long-chain alkane  .
The molecule CN1CCN(CCN)CC1 CN1CCN(CCN)CC1 is A N-alkylpiperazine that is piperazine substituted by a methyl and a 2-aminoethyl group at the N atoms respectively. It has the role of human metabolite . It is also related to or classified as N-alkylpiperazine .
The molecule CCCCCCCCCCCCC(C)O CCCCCCCCCCCCC(C)O is A fatty alcohol that is tetradecane substituted by a hydroxy group at position 2. It has the role of human metabolite . It is also related to or classified as secondary fatty alcohol  . It is also related to or classified as tetradecanol .
The molecule CCCC(C)(CC)OC CCCC(C)(CC)OC is an ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3. It has the role of human metabolite . It is also related to or classified as ether  .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as myristoyl and oleoyl respectively. Its functional parent is oleic acid . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as tetradecanoate ester  .
The molecule CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylethanolamine 32:1 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-myristoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as phosphatidylethanolamine 32:1 zwitterion  . It is also related to or classified as tetradecanoate ester  .
The molecule [H+].[Cl-].CCN(CC)CCNC(=O)c1ccc(N)cc1 [H+].[Cl-].CCN(CC)CCNC(=O)c1ccc(N)cc1 is A hydrochloride which has procainamide as the amino component. It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .
The molecule N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O N[C@@H](CSc1c(C[C@H](N)C(O)=O)ccc(O)c1O)C(O)=O is an L-tyrosine derivative that is L-DOPA in which the hydrogen at position 2 on the phenyl ring is replaced by a cysteinyl group. Found in the urine of patients with melanoma. It has the role of human urinary metabolite . Its functional parent is L-dopa . It is also related to or classified as diamine  .  It is also related to or classified as catechols  . It is also related to or classified as L-tyrosine derivative , aryl sulfide , amino dicarboxylic acid , S-organyl-L-cysteine , S-conjugate .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C([O-])=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C([O-])=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .
The molecule NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O is A member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has the role of human metabolite . It is also related to or classified as phenols  . It is also related to or classified as dicarboxylic acid , benzothiazine , non-proteinogenic alpha-amino acid .
The molecule CCCCCCCCCCCCCC(=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)CCCC(C)C CCCCCCCCCCCCCC(=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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of the hydroxy group of cholesterol with the carboxy group of myristic acid. It has the role of mouse metabolite . It is also related to or classified as cholesteryl ester  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C([O-])=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C([O-])=O is A hydroxy fatty acid anion that is the conjugate base of (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy polyunsaturated fatty acid anion  . It is also related to or classified as ultra-long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .
The molecule [NH3+][C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C([O-])=O [NH3+][C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C([O-])=O is an L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of anticapsin; major species at pH 7.3. It has the role of antimicrobial agent . It has the role of antimetabolite . It has the role of bacterial metabolite . It has the role of EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor . It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule CCCCCCCC(=O)OC[C@@H](O)CO CCCCCCCC(=O)OC[C@@H](O)CO is A 1-acyl-sn-glycerol that has octanoyl as the 1-acyl group. It is also related to or classified as 1-acyl-sn-glycerol  . It is also related to or classified as 1-monooctanoylglycerol  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O CCCCCCCCCCCCCCCCCCCCCC(O)C([O-])=O is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxytricosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is tricosanoate . It is also related to or classified as very long-chain fatty acid anion  . It is also related to or classified as 2-hydroxy fatty acid anion  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C(O)=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)C(O)=O is an ultra-long-chain fatty acid that is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoic acid . It is a conjugate acid of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoate . It is also related to or classified as 2-hydroxy fatty acid  .  It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid .
The molecule CCCCCCCCCCCCCCC(=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)CCCC(C)C CCCCCCCCCCCCCCC(=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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of  cholesterol with  pentadecanoic acid. It has the role of mouse metabolite . Its functional parent is pentadecanoic acid . It is also related to or classified as cholesteryl ester  .
The molecule CCCCCCCC(=O)OCC(O)CO CCCCCCCC(=O)OCC(O)CO is A rac-1-monoacylglycerol comprising equal amounts of 1-octanoyl-sn-glycerol and 3-octanoyl-sn-glycerol. It is also related to or classified as rac-1-monoacylglycerol  .
The molecule CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O is A member of the family of dapdiamides consisting of alanylvaline in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as dapdiamide .
The molecule CCCCCCCC(=O)OC[C@H](O)CO CCCCCCCC(=O)OC[C@H](O)CO is A 3-acyl-sn-glycerol that has octanoyl as the 3-acyl group. It is also related to or classified as 3-acyl-sn-glycerol  . It is also related to or classified as 1-monooctanoylglycerol  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O CCCCCCCCCCCCCCCCCCCCCC(O)C(O)=O is A 2-hydroxy fatty acid that is tricosanoic acid substituted by a hydroxy group at position 2. It has the role of animal metabolite . It has the role of marine metabolite . Its functional parent is tricosanoic acid . It is a conjugate acid of 2-hydroxytricosanoate . It is also related to or classified as 2-hydroxy fatty acid  .
The molecule CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .
The molecule N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O is an alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3. It has the role of antimicrobial agent . It has the role of antimetabolite . It has the role of bacterial metabolite . It has the role of EC 2.6.1.16 (glutamine--fructose-6-phosphate transaminase (isomerizing)) inhibitor . It is also related to or classified as epoxide  . It is also related to or classified as alicyclic ketone , non-proteinogenic L-alpha-amino acid , L-alanine derivative .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C(O)=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)C(O)=O is an ultra-long-chain fatty acid that is (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid . It is a conjugate acid of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoate . It is also related to or classified as 2-hydroxy fatty acid  .  It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid .
The molecule N[C@@H](CSc1cc(C[C@H](N)C(O)=O)c(SC[C@H](N)C(O)=O)c(O)c1O)C(O)=O N[C@@H](CSc1cc(C[C@H](N)C(O)=O)c(SC[C@H](N)C(O)=O)c(O)c1O)C(O)=O is an L-tyrosine derivative that is L-DOPA in which the hydrogens at positions 2 and 5 on the phenyl ring are replaced by cysteinyl groups. Found in the urine of patients with melanoma. It has the role of human urinary metabolite . Its functional parent is L-dopa .   It is also related to or classified as catechols  .  It is also related to or classified as triamine  . It is also related to or classified as tricarboxylic acid , L-tyrosine derivative , aryl sulfide , S-organyl-L-cysteine , S-conjugate .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C(O)=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)C(O)=O is an ultra-long-chain fatty acid that is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid substituted at position 2 by a hydroxy group. Its functional parent is (13Z,16Z,19Z,22Z)-octacosatetraenoic acid . It is a conjugate acid of (13Z,16Z,19Z,22Z)-2-hydroxyoctacosatetraenoate . It is also related to or classified as 2-hydroxy fatty acid  .  It is also related to or classified as ultra-long-chain fatty acid  . It is also related to or classified as hydroxy polyunsaturated fatty acid .
The molecule CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O is A member of the family of dapdiamides consisting of alanylisoleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as dapdiamide .
The molecule CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1 is A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties. It has the role of antineoplastic agent . It has the role of mTOR inhibitor .  It is also related to or classified as organofluorine compound  . It is also related to or classified as quinolines , pyridoquinoline , N-acylpiperazine , N-arylpiperazine .
The molecule N[C@@H](CNC(=O)\C=C\C(O)=O)C(O)=O N[C@@H](CNC(=O)\C=C\C(O)=O)C(O)=O is an L-alanine derivative obtained by formal condensation of one of the carboxy groups of fumaric acid with the side-chain amino group of 3-amino-L-alanine. It has the role of bacterial metabolite . Its functional parent is 3-amino-L-alanine . Its functional parent is fumaric acid . It is a conjugate acid of N(3)-fumaroyl-(S)-2,3-diaminopropanoate . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as enamide  . It is also related to or classified as dicarboxylic acid monoamide , non-proteinogenic L-alpha-amino acid , L-alanine derivative .
The molecule CC(C)C[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O CC(C)C[C@H](NC(=O)[C@@H](N)CNC(=O)\C=C\C(N)=O)C(O)=O is A member of the family of dapdiamides consisting of alanylleucine, in which one of the methyl hydrogens of alanine is replaced by a fumaramoyl group. It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as dapdiamide .
The molecule CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O CC[C@H](C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)\C=C\C(N)=O)C([O-])=O is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide B; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as peptide zwitterion .
The molecule Cl.Cl.NC(=N)NCCCCCCCCCCNC(N)=N Cl.Cl.NC(=N)NCCCCCCCCCCNC(N)=N is A hydrochloride resulting from the reaction of decamethylenediguanidine with 2 mol eq. of hydrogen chloride. It has the role of hypoglycemic agent . It has the role of hepatotoxic agent . It has the role of nephrotoxic agent . It is also related to or classified as hydrochloride , guanidinium salt .
The molecule CCCCCCCCCCCCCCCCC(=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)CCCC(C)C CCCCCCCCCCCCCCCCC(=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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of  cholesterol with margaric acid. It has the role of mouse metabolite . Its functional parent is heptadecanoic acid . It is also related to or classified as cholesteryl ester  .
The molecule CCCCCCCC\C=C/CCCCCCCCCCCCC(O)C([O-])=O CCCCCCCC\C=C/CCCCCCCCCCCCC(O)C([O-])=O is A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxynervonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is (15Z)-tetracosenoate . It is also related to or classified as 2-hydroxy fatty acid anion 24:1  .
The molecule NC(=N)NCCCCCCCCCCNC(N)=N NC(=N)NCCCCCCCCCCNC(N)=N is A member of the class of guanidines that is decane having guanidino groups at the 1- and 10-positions. It has the role of hypoglycemic agent . It has the role of hepatotoxic agent . It has the role of nephrotoxic agent . It is also related to or classified as guanidines .
The molecule CCCCCC\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)CCCC(C)C CCCCCC\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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of  cholesterol with palmitoleic acid. It has the role of mouse metabolite . Its functional parent is palmitoleic acid . It is also related to or classified as CE(16:1)  .
The molecule NC(=[NH2+])NCCCCCCCCCCNC(N)=[NH2+] NC(=[NH2+])NCCCCCCCCCCNC(N)=[NH2+] is A guanidinium ion resulting from the protonation of the two imine nitrogens of synthalin A. It is a conjugate acid of synthalin A . It is also related to or classified as guanidinium ion  .
The molecule CCCCCCC\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)CCCC(C)C CCCCCCC\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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of  cholesterol with cis-9-heptadecenoic acid. It has the role of mouse metabolite . Its functional parent is (9Z)-heptadecenoic acid . It is also related to or classified as CE(17:1)  .
The molecule N[C@@H](CNC(=O)\C=C\C(N)=O)C(O)=O N[C@@H](CNC(=O)\C=C\C(N)=O)C(O)=O is an L-alanine derivative obtained by formal condensation of the carboxy group of fumaric acid monoamide with the side-chain amino group of 3-amino-L-alanine. It has the role of bacterial metabolite . Its functional parent is 3-amino-L-alanine . Its functional parent is fumaric acid . It is also related to or classified as primary carboxamide  . It is also related to or classified as secondary carboxamide  . It is also related to or classified as enamide  . It is also related to or classified as L-alanine derivative .
The molecule NC(Cc1cc(O)c2NC(=O)CSc2c1)C(O)=O NC(Cc1cc(O)c2NC(=O)CSc2c1)C(O)=O is A member of the class of benzothiazines that is 3,4-dihydro-2H-1,4-benzothiazin-3-one bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. It has the role of human metabolite . It is also related to or classified as lactam  . It is also related to or classified as phenols  . It is also related to or classified as benzothiazine , non-proteinogenic alpha-amino acid .
The molecule NC(Cc1cc(O)c2ncsc2c1)C(O)=O NC(Cc1cc(O)c2ncsc2c1)C(O)=O is A member of the class of benzothiazoles bearing hydroxy and 2-amino-2-carboxyethyl substituents at positions 4 and 6 respectively. It has the role of human metabolite . It is also related to or classified as phenols  . It is also related to or classified as benzothiazoles , non-proteinogenic alpha-amino acid .
The molecule CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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)CCCC(C)C CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of  cholesterol with all-cis-icosa-8,11,14-trienoic acid. It has the role of mouse metabolite . Its functional parent is all-cis-icosa-8,11,14-trienoic acid . It is also related to or classified as cholesteryl icosatrienoate  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC1C(O)C(CO)OC(OC2OC(CO)C(O)C(O)C2OS([O-])(=O)=O)C1OC(=O)CCCCCCCCCCCCCCC is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organosulfate oxoanion  .
The molecule COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O COc1cc(\C=C\c2cc(\C=C\c3ccc(O)c(OC)c3)[nH]n2)ccc1O is A pyrazole obtained by cyclocodensation of the two carbonyl groups of curcumin with hydrazine. It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of angiogenesis modulating agent . It has the role of EC 2.3.1.48 (histone acetyltransferase) inhibitor . Its functional parent is curcumin . It is also related to or classified as polyphenol , pyrazoles , aromatic ether , olefinic compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OS([O-])(=O)=O)C(O)C1O CCCCCCCCCCCCCCCCCC(=O)OCC1OC(OC2OC(COC(=O)CCCCCCCCCCCCCCCCC)C(O)C(OC(=O)CCCCCCCCCCCCCCCCC)C2OC(=O)CCCCCCCCCCCCCCC)C(OS([O-])(=O)=O)C(O)C1O is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as organosulfate oxoanion  .
The molecule [NH3+][C@@H](CNC(=O)\C=C\C([O-])=O)C([O-])=O [NH3+][C@@H](CNC(=O)\C=C\C([O-])=O)C([O-])=O is an alpha-amino-acid anion that is the conjugate base of N(3)-fumaroyl-(S)-2,3-diaminopropanoic acid; major species at pH 7.3. It is also related to or classified as alpha-amino-acid anion .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(O)(=O)=O)[C@@H]1OC(=O)CCCCCCCCCCCCCCC is A polyacyl alpha,alpha-trehalose derivative that is 2'-sulfo-alpha,alpha-trehalose carrying palmitoyl and stearoyl groups at positions 2 and 3 respectively. It has the role of bacterial metabolite . It is a conjugate acid of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose(1-) . It is also related to or classified as sulfoglycolipid , trehalose sulfate , polyacyl alpha,alpha-trehalose derivative .
The molecule CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1 is A member of the class of ureas that is 1H-imidazole-1-carboxamide substituted by a propyl and a 2-(2,4,6-trichlorophenoxy)ethyl group at the amino nitrogen atom. A fungicide active against a wide range of diseases affecting field crops, fruit, turf and vegetables. It has the role of xenobiotic . It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It has the role of environmental contaminant . It has the role of antifungal agrochemical . It is also related to or classified as trichlorobenzene  . It is also related to or classified as aromatic ether , ureas , amide fungicide , conazole fungicide , imidazole fungicide , imidazoles .
The molecule CC\C=C/C\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)CCCC(C)C CC\C=C/C\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)CCCC(C)C is A cholesterol ester obtained by the formal condensation of  cholesterol with (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid. It has the role of mouse metabolite . Its functional parent is alpha-linolenic acid . It is also related to or classified as cholesteryl octadecatrienoate  .