mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A sphingolipid in which D-xylo-phytosphingosine is substituted on O-1 by an alpha-D-galactosyl group and on nitrogen by a hexacosanoyl group. Its functional parent is D-xylo-phytosphingosine. It is also related to or classified as sphingolipid.
The molecule <smiles>CC(C[N+](C)(C)C)SC(C)=O</smiles> is A quaternary ammonium ion that is the S-acetyl derivative of beta-methylthiocholine. It is also related to or classified as quaternary ammonium ion .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A pentapeptide composed of two L-glutamic acid units, L-glutamine and L-tryptophan 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. It is also related to or classified as tetrapeptide .
The molecule <smiles>C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, L-alanine and L-tryptophan 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. It is also related to or classified as tripeptide .
The molecule <smiles>C[N+](C)(C)CCP(O)(O)=O</smiles> is A quaternary ammonium ion where three methyl groups and one 2-phosphoethyl group are attached to the nitrogen. It has the role of mouse metabolite. Its functional parent is phosphonic acid. It is also related to or classified as quaternary ammonium ion .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, L-aspartic acid and L-isoleucine 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-isoleucine. It is also related to or classified as tripeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(O)=O</smiles> is A tripeptide composed of one L-glutamic acid and two L-cysteine units joined by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-cysteine. It is also related to or classified as tripeptide .
The molecule <smiles>[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C([O-])=O)c3nc2c1</smiles> is an L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group. It is also related to or classified as L-alpha-amino acid anion .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A tripeptide composed of two L-glutamic acid units and L-isoleucine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-isoleucine. It is also related to or classified as tripeptide .
The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)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-glutamic acid, two L-threonine units and L-tyrosine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-threonine. Its functional parent is L-tyrosine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)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-phenylalanine and two L-glutamine units joined by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic 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)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-) .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, glycine and L-tryptophan joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-glutamic acid. Its functional parent is L-tryptophan. It is also related to or classified as tripeptide .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, L-isoleucine and L-phenylalanine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-isoleucine. Its functional parent is L-phenylalanine. It is also related to or classified as tripeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-aspartic acid joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-aspartic acid. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, L-phenylalanine and L-valine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-valine. Its functional parent is L-phenylalanine. It is also related to or classified as tripeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-methionine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-methionine. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)NCC(O)=O</smiles> is A dipeptide composed of L-glutamic acid and glycine joined by a peptide linkage. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-glutamic acid. It is also related to or classified as dipeptide .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, L-isoleucine and L-valine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-valine. Its functional parent is L-isoleucine. It is also related to or classified as tripeptide .
The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-threonine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-threonine. It is also related to or classified as dipeptide .
The molecule <smiles>OC(=O)CCCC#C</smiles> is A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.  It is also related to or classified as terminal acetylenic compound . It is also related to or classified as hexynoic acid.
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-proline joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-proline. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid and two L-valine 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-valine. It is also related to or classified as tripeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-tryptophan joined by a peptide linkage. It has the role of metabolite. It has the role of antineoplastic agent. It has the role of immunomodulator. It has the role of angiogenesis modulating agent. Its functional parent is L-glutamic acid. Its functional parent is L-tryptophan. It is also related to or classified as dipeptide .
The molecule <smiles>NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide composed of glycine and L-tyrosine joined by a peptide linkage. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-tyrosine. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-tyrosine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-tyrosine. It is also related to or classified as dipeptide .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-glutamic acid, L-isoleucine and L-serine joined by peptide linkages. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-serine. Its functional parent is L-isoleucine. It is also related to or classified as tripeptide .
The molecule <smiles>CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-isoleucine, L-leucine, L-valine and L-tyrosine 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-isoleucine. Its functional parent is L-tyrosine. It is also related to or classified as tetrapeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O</smiles> is A tripeptide composed of two L-glutamic acid and one glycine residues joined in sequence. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-glutamic acid. It is also related to or classified as tripeptide .
The molecule <smiles>CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C([O-])=O)C([O-])=O</smiles> is an L-alpha-amino-acid anion obtained by deprotonation of the two carboxy groups of grixazone B. It is also related to or classified as L-alpha-amino acid anion .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of L-leucine L-alanine, 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-alanine. Its functional parent is L-aspartic acid. It is also related to or classified as tripeptide .
The molecule <smiles>CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A tetrapeptide composed of L-isoleucine, L-leucine and two L-tryptophan units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-tryptophan. Its functional parent is L-isoleucine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-leucine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-glutamic acid. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-serine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-serine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide composed of L-leucine and L-arginine joined by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-arginine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A tetrapeptide composed of L-leucine, two L-serine units and L-tyrosine 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-tyrosine. It is also related to or classified as tetrapeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O</smiles> is A dipeptide composed of L-leucine and L-asparagine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-asparagine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-alanine 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-alanine. Its functional parent is L-serine. It is also related to or classified as tripeptide .
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCCO</smiles> is A long chain fatty alcohol that is octadecanol containing two double bonds located at positions 9 and 12 (the 9Z,12Z-geoisomer). It is also related to or classified as long-chain primary fatty alcohol . It is also related to or classified as fatty alcohol 18:2 .
The molecule <smiles>CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide composed of L-isoleucine 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-isoleucine. It is also related to or classified as dipeptide .
The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A dipeptide composed of L-glutamic acid and L-lysine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-glutamic acid. Its functional parent is L-lysine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-asparagine and L-histidine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-histidine. Its functional parent is L-asparagine. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC(O)=O</smiles> is A tripeptide composed of L-leucine, L-alanine and glycine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-leucine. Its functional parent is L-alanine. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide formed from L-leucine and L-serine residues. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-serine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> is A nucleoside analogue in which an adenosine residue has been modified by substitution at C-2 by a mercapto (sulfanyl) group and at the 6-amino nitrogen by a Delta(2)-isopentenyl group. Its functional parent is adenosine.  It is also related to or classified as aryl thiol . It is also related to or classified as nucleoside analogue.
The molecule <smiles>N[C@@H](CONC(N)=O)C(O)=O</smiles> is A serine derivative that is L-serine in which the hydroxyl hydrogen is replaced by a ureido group. It has the role of metabolite. Its functional parent is L-serine. It is also related to or classified as ureas, non-proteinogenic L-alpha-amino acid, L-serine derivative.
The molecule <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>Cc1nc2n(C)c3n(cnc3c(=O)n2c1CC[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A ribonucleoside 5'-monophosphate that is wyosine 5'-monophosphate substituted at position 7 by a 3-amino-3-carboxypropyl group. Its functional parent is guanosine. It is also related to or classified as ribonucleoside 5'-monophosphate.
The molecule <smiles>[H]C(=O)c1ccc2oc3cc(=O)c(N)c(SC[C@H](NC(C)=O)C(O)=O)c3nc2c1</smiles> is A cysteine derivative that is the S-(2-amino-8-formyl-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine. It has the role of metabolite. It is a conjugate acid of grixazone A(1-).   It is also related to or classified as arenecarbaldehyde . It is also related to or classified as N-acetyl-amino acid, phenoxazine, L-cysteine derivative.
The molecule <smiles>CC(=O)N[C@@H](CSc1c(N)c(=O)cc2oc3ccc(cc3nc12)C(O)=O)C(O)=O</smiles> is A cysteine derivative that is the S-(2-amino-8-carboxy-3-oxo-3H-phenoxazin-1-yl) derivative of N-acetyl-L-cysteine. It has the role of metabolite. It is a conjugate acid of grixazone B(2-). It is also related to or classified as N-acetyl-amino acid, phenoxazine, L-cysteine derivative, cysteine derivative.
The molecule <smiles>[I-].CC(C[N+](C)(C)C)SC(C)=O</smiles> is A quaternary ammonium salt that is the monoiodide salt of acetyl-beta-methylthiocholine.   It is also related to or classified as thioester . It is also related to or classified as quaternary ammonium salt, organic iodide salt.
The molecule <smiles>CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1ccc(O)cc1</smiles> is A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxy-3-(4-hydroxyphenyl)propionic acid. It is a conjugate acid of 3-hydroxy-3-(4-hydroxyphenyl)propionyl-CoA(4-). It is also related to or classified as 3-hydroxyacyl-CoA .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](C)C(O)=O</smiles> is A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-alanine. It is also related to or classified as dipeptide .
The molecule <smiles>Cc1nc2[nH]c3n(cnc3c(=O)n2c1CC[C@H]([NH3+])C([O-])=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is an amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5'-monophosphate. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A tripeptide composed of 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 tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-aspartic acid 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 tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(O)=O</smiles> is A tripeptide composed of L-leucine, L-aspartic acid and glycine joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. It is also related to or classified as tripeptide .
The molecule <smiles>Cc1nc2[nH]c3n(cnc3c(=O)n2c1CC[C@H](N)C(O)=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A ribonucleoside 5'-monophosphate having (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoic acid as the nucleobase. Its functional parent is guanosine. It is also related to or classified as ribonucleoside 5'-monophosphate.
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(O)=O</smiles> is A tripeptide composed of two L-leucine units joined to L-alanine by a peptide linkage. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-alanine. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of 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. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of two L-leucine units joined to L-aspartic acid by a peptide linkage. It has the role of metabolite. Its functional parent is L-leucine. Its functional parent is L-aspartic acid. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(O)=O</smiles> is A tripeptide composed of L-leucine, L-threonine 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-threonine. Its functional parent is L-alanine. It is also related to or classified as tripeptide .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-deoxy-6-benzamido-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. Its functional parent is phytosphingosine. It is also related to or classified as glycophytoceramide.
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(O)=O</smiles> is A tripeptide composed of two L-leucine 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-leucine. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A tripeptide composed of 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-phenylalanine. It is also related to or classified as tripeptide .
The molecule <smiles>CC(C)C[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(O)=O</smiles> is A tripeptide composed of 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-serine. It is also related to or classified as tripeptide .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CNC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC</smiles> is A glycophytoceramide having a 6-deoxy-6-(N'-naphthoureido)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. Its functional parent is phytosphingosine. It is also related to or classified as glycophytoceramide.