mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-leucine and two L-aspartic acid units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. Its functional parent is L-asparagine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-aspartic acid joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-aspartic acid. Its functional parent is L-asparagine. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-tryptophan, L-cysteine and L-histidine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-histidine. Its functional parent is L-tryptophan. Its functional parent is L-asparagine. Its functional parent is L-cysteine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-methionine, L-tryptophan and L-asparagine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-methionine. Its functional parent is L-tryptophan. Its functional parent is L-asparagine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1</smiles> is A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod. It has the role of antineoplastic agent. It has the role of immunosuppressive agent. It has the role of sphingosine-1-phosphate receptor agonist. Its functional parent is fingolimod. It is also related to or classified as primary alcohol . It is also related to or classified as monoalkyl phosphate, primary amino compound.
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-histidine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-histidine. Its functional parent is L-asparagine. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-glutamine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-asparagine. Its functional parent is L-glutamine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of L-alanine, L-valine, L-aspartic acid, and L-histidine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-histidine. Its functional parent is L-valine. Its functional parent is L-alanine. Its functional parent is L-aspartic acid. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-tyrosine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-asparagine. Its functional parent is L-tyrosine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, two L-leucine units, and L-serine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-serine. Its functional parent is L-asparagine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-asparagine, L-leucine, L-phenylalanine and L-aspartic acid joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. Its functional parent is L-asparagine. Its functional parent is L-phenylalanine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-arginine, L-tryptophan, L-serine, and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-arginine. Its functional parent is L-tryptophan. Its functional parent is L-serine. Its functional parent is L-tyrosine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC</smiles> is A D-galactosyl-N-acylsphingosine in which the ceramide N-acyl group is dodecanoyl. It is also related to or classified as N-acyl-beta-D-galactosylsphingosine .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, two L-leucine units and L-serine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. Its functional parent is L-serine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)NCC(O)=O</smiles> is A dipeptide composed of L-asparagine and glycine joined by a peptide linkage. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-asparagine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-valine and L-serine units joined in sequence. It has the role of metabolite. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-phenylalanine and L-valine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-valine. Its functional parent is L-aspartic acid. Its functional parent is L-phenylalanine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-serine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-serine. Its functional parent is L-asparagine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-threonine and L-serine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-threonine. Its functional parent is L-aspartic acid. Its functional parent is L-serine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-aspartic acid, and L-glutamine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is Asp-Leu-Leu-Gln. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-phenylalanine, L-aspartic acid and L-glutamine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-aspartic acid. Its functional parent is L-phenylalanine. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, two L-tryptophan units and L-valine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-valine. Its functional parent is L-tryptophan. Its functional parent is L-aspartic acid. It is also related to or classified as tetrapeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-methionine, L-threonine and L-proline joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-methionine. Its functional parent is L-threonine. Its functional parent is L-aspartic acid. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(C)C)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid and three L-valine units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-valine. Its functional parent is L-aspartic acid. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-phenylalanine and two L-valine units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-valine. Its functional parent is L-aspartic acid. Its functional parent is L-phenylalanine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide composed of L-asparagine and L-proline joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-asparagine. Its functional parent is L-proline. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-aspartic acid, L-glutamine and L-serine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-aspartic acid. Its functional parent is L-serine. Its functional parent is L-glutamine. It is also related to or classified as tripeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A tripeptide composed of L-aspartic acid, L-glutamine and L-arginine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-arginine. Its functional parent is L-aspartic acid. Its functional parent is L-glutamine. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-valine and two L-proline units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-valine. Its functional parent is L-aspartic acid. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide composed of L-aspartic acid and L-arginine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-arginine. Its functional parent is L-aspartic acid. It is also related to or classified as dipeptide .
The molecule <smiles>Cl.Cl.Cl.Cl.COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC</smiles> is A hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid. It has the role of muscarinic antagonist. It is also related to or classified as hydrochloride.
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-valine, glycine and L-proline joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-valine. Its functional parent is L-aspartic acid. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide composed of L-aspartic acid and L-serine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-aspartic acid. Its functional parent is L-serine. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide composed of L-aspartic acid and L-histidine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-histidine. Its functional parent is L-aspartic acid. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-leucine, L-threonine and L-aspartic acid joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-threonine. Its functional parent is L-aspartic acid. It is also related to or classified as tetrapeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CS)C(O)=O</smiles> is A tetrapeptide composed of one L-cysteine and three L-methionine units joined by peptide linkages. It has the role of metabolite. Its functional parent is L-methionine. Its functional parent is L-cysteine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from two L-aspartic acid units. It has the role of Mycoplasma genitalium metabolite. Its functional parent is L-aspartic acid. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CS)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide composed of L-cysteine and L-proline joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-proline. Its functional parent is L-cysteine. It is also related to or classified as dipeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-cysteine, L-methionine, L-threonine and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-methionine. Its functional parent is L-threonine. Its functional parent is L-cysteine. Its functional parent is L-tyrosine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A tetrapeptide composed of L-glutamine, two L-leucine units and L-proline joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-proline. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CS)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide composed of L-cysteine and L-serine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-serine. Its functional parent is L-cysteine. It is also related to or classified as secondary carboxamide . It is also related to or classified as primary alcohol . It is also related to or classified as thiol . It is also related to or classified as carboxylic acid . It is also related to or classified as dipeptide . It is also related to or classified as primary amino compound.
The molecule <smiles>N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tetrapeptide composed of two L-cysteine units joined to two  L-histidine units by a peptide linkage. It has the role of metabolite. Its functional parent is L-histidine. Its functional parent is L-cysteine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tetrapeptide composed of L-aspartic acid, L-proline and two L-serine units joined by peptide linkages. It has the role of metabolite. Its functional parent is L-aspartic acid. Its functional parent is L-serine. Its functional parent is L-proline. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(O)=O</smiles> is A tetrapeptide composed of L-cysteine, two L-phenylalanine units and glycine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-phenylalanine. Its functional parent is L-cysteine. It is also related to or classified as tetrapeptide .
The molecule <smiles>COc1ccccc1C[NH2+]CCCCCC[NH2+]CCCCCCCC[NH2+]CCCCCC[NH2+]Cc1ccccc1OC</smiles> is an organic cation obtained by protonation of the four amino groups of methoctramine. It is a conjugate acid of methoctramine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1</smiles> is the meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase. It has the role of metabolite. It has the role of hypoglycemic agent. It has the role of antineoplastic agent. It has the role of lipoxygenase inhibitor. It is also related to or classified as nordihydroguaiaretic acid .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tetrapeptide composed of L-glutamic acid, L-aspartic acid and two L-glutamine units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-aspartic acid. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .
The molecule <smiles>C[N+]1(C)CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> is A quaternary ammonium salt obtained by formal methylation of the tertiary amino function of 4-diphenylacetoxy-N-methylpiperidine. It has the role of cholinergic antagonist. It has the role of muscarinic antagonist. It is also related to or classified as quaternary ammonium ion .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide composed of L-aspartic acid and L-tyrosine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-aspartic acid. Its functional parent is L-tyrosine. It is also related to or classified as dipeptide .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCCCCCCCCC</smiles> is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are stearoyl (octadecanoyl) and palmitoyl (hexadecanoyl) respectively. It has the role of antigen. It is also related to or classified as alpha-D-glucuronosyl diglyceride.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)OC(=O)CCCCCCCC[C@H](C)CCCCCCCC</smiles> is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are palmitoyl (hexadecanoyl) and (10R)-10-methyloctadecanoyl respectively. It has the role of antigen. It is also related to or classified as alpha-D-glucuronosyl diglyceride.
The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-glutamine, L-phenylalanine, L-tryptophan and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-tryptophan. Its functional parent is L-phenylalanine. Its functional parent is L-tyrosine. Its functional parent is L-glutamine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O</smiles> is A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2. It has the role of antineoplastic agent. It has the role of cyclooxygenase 2 inhibitor. Its functional parent is 4-nitroaniline. It is also related to or classified as sulfonamide . It is also related to or classified as aromatic ether, C-nitro compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)COC(=O)CCCCCCCC[C@H](C)CCCCCCCC</smiles> is an alpha-D-glucuronosyl diglyceride in which the acyl groups at the 1- and 2-positions are (10R)-10-methyloctadecanoyl and palmitoyl (hexadecanoyl) respectively. It has the role of antigen. It is also related to or classified as alpha-D-glucuronosyl diglyceride.
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)[C@H](O)CCCCCCCCCCC</smiles> is A glycodihydroceramide having an alpha-D-glucuronosyl group at the 1-position of the sphinganine skeleton and a (2R)-2-hydroxytridecanoyl group attached to the nitrogen. It is also related to or classified as glycodihydroceramide .
The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@H](O)[C@@H](N)CO</smiles> is A sphingoid having the structure of phytosphingosine but with R-configuration at C-3.   It is also related to or classified as sphingoid . It is also related to or classified as amino alcohol, triol.
The molecule <smiles>CN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1</smiles> is A carboxylic ester obtained by formal condensation of the carboxy group of diphenylacetic acid and the hydroxy group of 4-hydroxy-N-methylpiperidine. It has the role of muscarinic antagonist.  It is also related to or classified as carboxylic ester . It is also related to or classified as piperidines, tertiary amino compound.
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(O)=O</smiles> is A tetrapeptide composed of L-glutamic acid, L-leucine, L-phenylalanine and L-alanine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-glutamic acid. Its functional parent is L-alanine. Its functional parent is L-phenylalanine. It is also related to or classified as tetrapeptide .
The molecule <smiles>C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A tetrapeptide composed of L-glutamic acid, L-lysine, L-tryptophan and L-alanine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-tryptophan. Its functional parent is L-alanine. Its functional parent is L-lysine. It is also related to or classified as tetrapeptide .