mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[NH+](C)C(CCc1ncc(C[C@H]([NH3+])C([O-])=O)[nH]1)C([O-])=O</smiles> is an amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>NCCCCCCCCC(O)=O</smiles> is A omega-amino fatty acid that is nonanoic acid substituted by an amino group at position 9. It has the role of metabolite. Its functional parent is nonanoic acid. It is also related to or classified as omega-amino fatty acid.
The molecule <smiles>OC(=O)CCCCCCCCCCCCCCCCCCCCC=C</smiles> is A tricosenoic acid having a double bond at position 22. It has the role of metabolite. It is also related to or classified as tricosenoic acid.
The molecule <smiles>CC(=O)CCC(=O)CCC(O)=O</smiles> is A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions. It has the role of metabolite. Its functional parent is octanoic acid. It is also related to or classified as dioxo monocarboxylic acid.
The molecule <smiles>C[N+](C)(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C([O-])=O</smiles> is A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxylato-3-(trimethylammonio)propyl group. It is also related to or classified as amino-acid betaine, non-proteinogenic L-alpha-amino acid, L-histidine derivative.
The molecule <smiles>CCCCCCC\C=C\C=C\CC(O)=O</smiles> is A tridecadienoic acid with double bonds at positions 3 and 5 (both E isomer). It has the role of metabolite. It is also related to or classified as tridecadienoic acid.
The molecule <smiles>OC(=O)C[N+]12CC[N+]3(CC[N+]4(CC[N+](CC1)(CC([O-])=O)[Gd-]234)CC([O-])=O)CC([O-])=O</smiles> is A gadolinium coordination entity consisting of DOTA in which the four amino groups are bound to a central gadolinium atom. It is used (as its meglumine salt) in magnetic resonance imaging (MRI) in brain (intracranial), spine and associated tissues of patients ages 2 years and older, to detect and visualise areas with disruption of the blood brain barrier and/or abnormal vascularity of the central nervous system. It has the role of MRI contrast agent. It is a conjugate acid of gadoterate. It is also related to or classified as gadolinium coordination entity.
The molecule <smiles>[NH3+]Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O</smiles> is an organic cation obtained by protonation of the exocyclic amino group of 5-aminomethyl-2-thiouridine. It is a conjugate acid of 5-aminomethyl-2-thiouridine. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CCCC\C=C/C#CC#CC(O)CCCCCCC(O)=O</smiles> is an octadecenediynoic acid that is stearic acid with a cis double bond at position 13, two triple bonds at positions 9 and 11, and a hydroxy group at C-8. It has the role of metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as hydroxy fatty acid, octadecenediynoic acid.
The molecule <smiles>CC[C@H]1O[C@H]([C@H](O)[C@@H]1OC)n1cc(CN)c(=O)[nH]c1=S</smiles> is the nucleoside residue formed from 5-aminomethyl-2-thiouridine with linkages at the 3' and 5' positions. It is also related to or classified as nucleoside residue.
The molecule <smiles>C[C@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-alanyl and glycine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H]([NH3+])C(=O)NCC([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gly. It is also related to or classified as dipeptide zwitterion .
The molecule <smiles>CNNC</smiles> is A member of the class of hydrazines that is hydrazine in which one of the hydrogens attached to each nitrogen is replaced by a methyl group. A powerful DNA alkylating agent and carcinogen, it is used to induce colon cancer in laboratory rats and mice. It has the role of alkylating agent. It has the role of carcinogenic agent. It is also related to or classified as hydrazines .
The molecule <smiles>CCCCCCCC(O)C(O)=O</smiles> is A monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2. It has the role of metabolite. Its functional parent is nonanoic acid. It is also related to or classified as 2-hydroxy fatty acid . It is also related to or classified as medium-chain fatty acid .
The molecule <smiles>[H]C(=CCCCCCCCCC(=O)OC)C1C2CC(OO2)C1C([H])=CC(CC)OO</smiles> is A lipid hydroperoxide that consists of 2,3-dioxabicyclo[2.2.1]heptane substituted by a 11-methoxy-11-oxoundec-1-en-1-yl and a 3-hydroperoxypent-1-en-1-yl groups at positions 5 and 6 respectively.  It is also related to or classified as fatty acid methyl ester . It is also related to or classified as hydroperoxy fatty ester.
The molecule <smiles>C[NH2+][NH2+]C</smiles> is an organic cation resulting from the protonation of both of the nitrogens of 1,2-dimethylhydrazine. It is a conjugate acid of 1,2-dimethylhydrazine. It is also related to or classified as organic cation.
The molecule <smiles>OC[C@@H](O)[C@@H]1O[C@H]1\C=C\[C@@H]1O[C@H]1[C@H](O)C=C</smiles> is A polyketide that is depudecin with a methyl hydrogen substituted with a hydroxy group. It has the role of metabolite. Its functional parent is depudecin. It is also related to or classified as polyketide . It is also related to or classified as epoxide .
The molecule <smiles>CCCCCC(O)C(O)=O</smiles> is A monohydroxy fatty acid that is heptanoic acid with a hydroxy group substituted at position C-2. It has the role of metabolite. Its functional parent is heptanoic acid. It is also related to or classified as 2-hydroxy fatty acid .
The molecule <smiles>CCCCC\C=C/C[C@@]1(OC(C)=O)C=C(Cl)C(=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O</smiles> is A  clavulone that is a chlorinated prostanoid isolated from marine corals. It is also related to or classified as methyl ester .  It is also related to or classified as acetate ester . It is also related to or classified as clavulone, alpha-chloroketone.
The molecule <smiles>NCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O</smiles> is A nucleoside analogue having 5-aminomethyl-2-thiouracil as the modified nucleobase. Its functional parent is uridine. It is also related to or classified as nucleoside analogue.
The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Thr. It is also related to or classified as dipeptide zwitterion .
The molecule <smiles>C[C@@H](O)[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-threonine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-His. It is also related to or classified as dipeptide zwitterion .
The molecule <smiles>Cl.Cl.CNNC</smiles> is A hydrochloride resulting from the reaction of 1,2,dimethylhydrazine with 2 mol eq. of hydrogen chloride. It is also related to or classified as hydrochloride.
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-histidine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>COc1cc(ccc1O)C1CC(=O)c2ccc(O)c(OC)c2O1</smiles> is A dihydroxyflavanone having the two hydroxy groups located at the C-4' and -7 positions and two additional methoxy substituent at the C-3' and 8-positions. It has the role of metabolite. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as 3'-methoxyflavanones . It is also related to or classified as dimethoxyflavanone, dihydroxyflavanone.
The molecule <smiles>[NH3+]CC(=O)N[C@@H](CCC([O-])=O)C([O-])=O</smiles> is A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group. It is also related to or classified as peptide anion.
The molecule <smiles>NCC(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from glycyl and L-glutamic acid residues. It has the role of metabolite. It is a conjugate acid of Gly-Glu(1-). It is also related to or classified as dipeptide .
The molecule <smiles>CN(C)C(CCc1ncc(C[C@H](N)C(O)=O)[nH]1)C(O)=O</smiles> is A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group. It is also related to or classified as non-proteinogenic L-alpha-amino acid, L-histidine derivative.
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Leu. It is also related to or classified as dipeptide zwitterion .
The molecule <smiles>O=C1c2ccc3occc3c2O\C1=C/c1ccccc1</smiles> is A member of the class of aurones that is aurone with a furan ring fused across positions C-6, and -7. It has the role of metabolite. Its functional parent is aurone.  It is also related to or classified as aurones . It is also related to or classified as cyclic ketone.
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-glutamine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O</smiles> is A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Gln. It is also related to or classified as dipeptide zwitterion .
The molecule <smiles>Cc1cc(ccc1OCC(O)=O)S(=O)(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F</smiles> is A sulfone resulting from the oxidation of the sulfur attached to one of the phenyl groups of GW 501516. It is a urinary metabolite of GW 501516 (a failed drug candidate and gene doping agent whose use by athletes has been prohibited by the World Anti-Doping Agency), so detection of the sulfone in sports drugs testing can be used to prove GW 501516 doping. Its functional parent is GW 501516. Its functional parent is GW 501516 sulfoxide.   It is also related to or classified as sulfone . It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid, aromatic ether, 1,3-thiazoles.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO</smiles> is A 1-monoglyceride that has stearoyl as the acyl group. It has the role of Caenorhabditis elegans metabolite. It has the role of algal metabolite. It is also related to or classified as 1-acylglycerol 18:0 .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-O-acyl group is specified as arachidonoyl. It has the role of metabolite. Its functional parent is arachidonic acid. It is a conjugate acid of 1-arachidonoyl-sn-glycerol 3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A phosphatidylcholine 32:1 in which the acyl groups at C-1 and C-2 are tetradecanoyl and (11Z)-octadec-11-enoyl respectively. It has the role of mouse metabolite. Its functional parent is cis-vaccenic acid. It is also related to or classified as phosphatidylcholine 32:1 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>O[C@@H](CCc1ccccc1)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O</smiles> is A member of the class of prostaglandins Falpha that is latanoprost free acid with a double bond at position 13. It has the role of metabolite. Its functional parent is latanoprost free acid. It is also related to or classified as prostaglandins Falpha .
The molecule <smiles>CC(C)=CCc1c2OC(C)(C)C=Cc2cc2C(=O)C[C@H](Oc12)c1c(O)c(O)cc(c1O)-c1ccc(O)cc1O</smiles> is an extended flavonoid that consists of (2S)-flavanone substituted by hydroxy groups at positions 2', 3', and 6', a 2,4-dihyroxyphenyl group at position 5', a prenyl group at position 8 and a gem-dimethylpyran ring fused across positions 6 and 7. It has the role of metabolite. It is also related to or classified as resorcinols, trihydroxyflavanone, extended flavonoid, pyranochromane.
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-leucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-aspartic acid residues. It has the role of metabolite. It is a conjugate acid of Ala-Asp(1-). It is also related to or classified as dipeptide .
The molecule <smiles>Cc1cc(ccc1OCC(O)=O)S(=O)Cc1sc(nc1C)-c1ccc(cc1)C(F)(F)F</smiles> is A sulfoxide resulting from the oxidation of the sulfur attached to one of the phenyl groups of GW 501516. It is a urinary metabolite of GW 501516 (a failed drug candidate and gene doping agent whose use by athletes has been prohibited by the World Anti-Doping Agency), so detection of the sulfoxide in sports drugs testing can be used to prove GW 501516 doping. Its functional parent is GW 501516. It is also related to or classified as sulfoxide .   It is also related to or classified as organofluorine compound . It is also related to or classified as monocarboxylic acid, aromatic ether, 1,3-thiazoles.
The molecule <smiles>O[C@@H]1[C@@H](COC(=O)c2cc(O)c(O)c(O)c2)O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H]1O</smiles> is A flavanone glycoside that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 4', and a (6''-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy residue at position 7. It has the role of metabolite. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as beta-D-glucoside . It is also related to or classified as gallate ester, dihydroxyflavanone, monosaccharide derivative, flavanone glycoside.
The molecule <smiles>CCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A lysophosphatidylcholine 14:1 in which the remaining acyl group is (9Z)-tetradecenoyl. It is also related to or classified as lysophosphatidylcholine 14:1 .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])([O-])=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-arachidonoyl-sn-glycero-3-phosphate. It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate(2-) .
The molecule <smiles>CO\C(=C/C(=O)c1ccccc1)c1c(OC)cc2OC(C)(C)C=Cc2c1OC</smiles> is A member of the class of chalcones that is chalcone substituted by methoxy groups at positions 2', 6' and 9 and a dimethylpyrano ring substituted across positions 3' and 4'. It has the role of metabolite. It is also related to or classified as chalcones . It is also related to or classified as enol ether .
The molecule <smiles>[O-][N+](=O)C1=CCCCC1</smiles> is A C-nitro compound that is cyclohexene substituted at position 1 by a nitro group. It is also related to or classified as carbocyclic compound, C-nitro compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 38:6 in which the acyl groups at C-1 and C-2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite. 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 phosphatidylcholine 38:6 .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-isoleucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@H](C)N)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-methionine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-leucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-phenylalanine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O</smiles> is A peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp. It is also related to or classified as peptide anion.
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-glutamine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>NCCCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-leucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-tryptophan residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CSCC[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-methionine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-isoleucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-asparagine and L-glutamic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-tyrosine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-alanyl and L-tryptophan residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-valine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(O)=O</smiles> is A dipeptide formed from L-arginine and L-serine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O</smiles> is A dipeptide formed from two L-arginine residues. It has the role of Mycoplasma genitalium metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-arginyl and L-aspartic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](NC(=O)CCN)C(O)=O</smiles> is A dipeptide formed from beta-alanine and L-alanine residues. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-valine residues. It has the role of metabolite. 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)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-glutamine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>NCCC(=O)NCC(O)=O</smiles> is A dipeptide formed from beta-alanine and glycine residues. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-glutamic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(O)=O</smiles> is A dipeptide formed from L-asparagine and L-valine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@@H](N)C(=O)N[C@H](CC(C)C)C(O)=O</smiles> is A dipeptide formed from two D-leucine residues. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@H](NC(=O)[C@@H](C)N)C(O)=O</smiles> is A dipeptide formed from D-alanine and L-leucine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-phenylalanine residues. It is obtained after the hydrolysis of aspartame in intestinal lumen. It has the role of human xenobiotic metabolite. It has the role of human blood serum metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@H](CCC(=O)NCC(O)=O)C(O)=O</smiles> is A dipeptide formed from D-gamma-glutamyl and glycine residues. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from D-alanine and glycine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@@H](N)C(=O)NCC(=O)NCC(O)=O</smiles> is A tripeptide composed of one D-alanine and two glycine residues joined in sequence. It has the role of metabolite. It is also related to or classified as tripeptide .
The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)NCC(O)=O</smiles> is A dipeptide formed from L-glutamine and glycine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)[C@H](NC(=O)[C@@H](N)CC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-valine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O</smiles> is A dipeptide formed from L-alpha-glutamyl and L-alanine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@@H](N)C(=O)NCC(O)=O</smiles> is A dipeptide formed from D-leucine and glycine residues. It is also related to or classified as dipeptide .
The molecule <smiles>CCCCCC\C=C/CCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A  1-O-acyl-sn-glycero-3-phosphocholine in which the  1-acyl group is (10Z)-heptadecenoyl. It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine(1+) . It is also related to or classified as lysophosphatidylcholine 17:1 .
The molecule <smiles>N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-alpha-aspartyl and L-tryptophan residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>NCCC(=O)N[C@@H](Cc1ccccc1)C(O)=O</smiles> is A dipeptide formed from beta-alanine and L-phenylalanine residues. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O</smiles> is A dipeptide formed from two L-glutamine residues. It has the role of Mycoplasma genitalium metabolite. Its functional parent is L-glutamine. It is also related to or classified as dipeptide .
The molecule <smiles>CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O</smiles> is A dipeptide formed from D-leucine and L-tyrosine residues. It is also related to or classified as dipeptide .