mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-3-oxolinoleic acid. It is a conjugate acid of (9Z,12Z)-3-oxolinoleoyl-CoA(4-). It is also related to or classified as 3-oxo-fatty acyl-CoA . It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=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</smiles> is A cholesterol ester in which the acyl group is specified as  (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. It has the role of mouse metabolite. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is also related to or classified as CE(22:6) .
The molecule <smiles>CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C</smiles> is A glycerophosphoinositol phosphate that is 1-archaetidyl-1D-myo-inositol bearing an additional phospho substituent at position 3. Its functional parent is 2,3-di-O-phytanyl-sn-glycerol. It is a conjugate acid of 1-archaetidyl-1D-myo-inositol 3-phosphate(3-). It is also related to or classified as glycerophosphoinositol phosphate, ether lipid.
The molecule <smiles>CCCCCC(=O)OCC[N+](C)(C)C</smiles> is an acylcholine with an acyl group that is hexanoyl. It has the role of metabolite. Its functional parent is hexanoic acid. It is also related to or classified as acylcholine .
The molecule <smiles>CNC(=O)CNC(C)=O</smiles> is an amino acid amide that is methylglycinamide with an acetyl group substituent on the amino group. Its functional parent is glycinamide. It is also related to or classified as amino acid amide, glycine derivative.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ncc2c1[nH]cnc2=O</smiles> is A nucleoside analogue that is allopurinol with a beta-D-ribofuranosyl moiety at the 1-position. It has the role of metabolite. Its functional parent is allopurinol. It is also related to or classified as nucleoside analogue.
The molecule <smiles>[N+](CCOC(CCCCCCCCC)=O)(C)(C)C</smiles> is an acylcholine obtained by formal condensation of the carboxy group of decanoic acid with the hydroxy group of choline. It has the role of metabolite. Its functional parent is decanoic acid. It is also related to or classified as acylcholine .
The molecule <smiles>[H][C@@]12OC(=O)C(=C)[C@@]1([H])[C@H](O)\C=C(C)\CC[C@H](O)\C(C)=C/2</smiles> is A germacrane sesquiterpenoid in which the 10-membered ring contains one E- and one Z- double bond and is fused to a 3-methylenedihydrofuran-2(3H)-one moiety. It has been isolated from Artemesia arbuscala, Anthemis altissima and Tanacetum vulgare. It has the role of metabolite. It is also related to or classified as diol .  It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterobicyclic compound, germacrane sesquiterpenoid.
The molecule <smiles>CCCCC\C=C/C\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z,14Z)-3-oxoicosa-11,14-dienoic acid. Its functional parent is icosanoyl-CoA. It is a conjugate acid of (11Z,14Z)-3-oxoicosa-11,14-dienoyl-CoA(4-). It is also related to or classified as 3-oxo-fatty acyl-CoA . It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>CCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxypalmitoyl-CoA. It is also related to or classified as long-chain fatty acyl-CoA(4-) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N</smiles> is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of erucic acid. Its functional parent is erucic acid. It is a conjugate acid of erucoyl-CoA(4-).  It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as 11,12-saturated fatty acyl-CoA . It is also related to or classified as monounsaturated fatty acyl-CoA.
The molecule <smiles>CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide formed from L-isoleucine and L-proline residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CCCCCCCCCCCNCCCCCCCCCCC</smiles> is A secondary aliphatic amine with two undecyl groups. It has the role of metabolite. It is also related to or classified as secondary aliphatic amine .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z,14Z,17Z)-3-oxoicosatrienoic acid. Its functional parent is icosanoyl-CoA. It is a conjugate acid of (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA(4-). It is also related to or classified as 3-oxo-fatty acyl-CoA . It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>[H][C@]12CC(=C)[C@@H](O)CC\C(C)=C\[C@@H](O)[C@]1([H])C(=C)C(=O)O2</smiles> is A germacrane sesquiterpenoid found in Tanacetum vulgare, Anthemis altissima and Anthemis melanolepsis that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14. It has the role of metabolite. It is also related to or classified as diol .  It is also related to or classified as gamma-lactone . It is also related to or classified as organic heterobicyclic compound, germacrane sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxybehenoyl-CoA. It is also related to or classified as 11,12-saturated fatty acyl-CoA(4-) . It is also related to or classified as fatty acyl-CoA(4-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxytetracosanoyl-CoA. It is also related to or classified as 11,12-saturated fatty acyl-CoA(4-) . It is also related to or classified as fatty acyl-CoA(4-) .
The molecule <smiles>NCCCCC(N)(C(F)F)C(O)=O</smiles> is A fluoroamino acid that is lysine with a difluoromethyl group at position 2. It has the role of metabolite. Its functional parent is lysine. It is also related to or classified as fluoroamino acid.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-eicosenoic acid. It is a conjugate acid of (11Z)-eicosenoyl-CoA(4-).  It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as Delta(11)-fatty acyl-CoA . It is also related to or classified as monounsaturated fatty acyl-CoA.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (13Z)-3-oxodocosenoic acid. It is a conjugate acid of (13Z)-3-oxodocosenoyl-CoA(4-).  It is also related to or classified as 3-oxo-fatty acyl-CoA . It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as 11,12-saturated fatty acyl-CoA . It is also related to or classified as monounsaturated fatty acyl-CoA.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A C24:1-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (15Z)-tetracosenoyl-CoA. It is also related to or classified as very long-chain fatty acyl-CoA(4-) . It is also related to or classified as 3-substituted propionyl-CoA(4-) . It is also related to or classified as C24:1-CoA(4-) .
The molecule <smiles>C[C@H](C(=O)C(O)=O)c1ccccc1</smiles> is A 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are substituted by phenyl and methyl groups (the S-enantiomer). Its functional parent is pyruvic acid. It is a conjugate acid of (3S)-3-methyl-2-oxo-3-phenylpropanoate. It is also related to or classified as 2-oxo monocarboxylic acid .
The molecule <smiles>CSCC[C@H](NC(=O)CN)C(O)=O</smiles> is A dipeptide formed from glycine and L-methionine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>C[C@H](C(=O)C([O-])=O)c1ccccc1</smiles> is A 2-oxo monocarboxylic acid anion that is the conjugate base of (3S)-3-methyl-2-oxo-3-phenylpropanoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as 2-oxo monocarboxylic acid anion .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z)-3-oxotetracosenoic acid. It is a conjugate acid of (15Z)-3-oxotetracosenoyl-CoA(4-).  It is also related to or classified as 3-oxo-fatty acyl-CoA . It is also related to or classified as monounsaturated fatty acyl-CoA, very long-chain fatty acyl-CoA.
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A dihydroceramide in which the ceramide N-acyl group is specified as (15Z)-tetracosenoyl (nervonoyl). It has the role of mouse metabolite. Its functional parent is (15Z)-tetracosenoic acid. It is also related to or classified as C24:1-sphinganine . It is also related to or classified as Cer(d42:1) .
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A dihydroceramide in which the ceramide N-acyl group is specified as (17Z)-hexacosenoyl. It has the role of mouse metabolite. Its functional parent is (17Z)-hexacosenoic acid. It is also related to or classified as C26:1-sphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxystearic acid. Its functional parent is 2-hydroxyoctadecanoic acid. It is a conjugate acid of 2-hydroxystearoyl-CoA(4-). It is also related to or classified as long-chain fatty acyl-CoA .  It is also related to or classified as 11,12-saturated fatty acyl-CoA . It is also related to or classified as hydroxy fatty acyl-CoA.
The molecule <smiles>CCCCc1nc(Cl)c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1</smiles> is A biphenylyltetrazole that is losartan with the hydroxymethyl group at position 5 on the imidazole ring replaced with a carboxylic acid. It has the role of metabolite. Its functional parent is losartan.  It is also related to or classified as organochlorine compound . It is also related to or classified as imidazoles, biphenylyltetrazole.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (17Z)-hexacosenoyl-CoA. It is also related to or classified as very long-chain fatty acyl-CoA(4-) . It is also related to or classified as C26:1-CoA(4-) .
The molecule <smiles>CSC(CC(N)C(O)=O)C(O)=O</smiles> is A glutamic acid derivative with a methylsulfanyl group  at position 4. It has the role of metabolite.    It is also related to or classified as methyl sulfide . It is also related to or classified as glutamic acid derivative, sulfur-containing amino acid, non-proteinogenic alpha-amino acid.
The molecule <smiles>NCC(=O)N1CCC[C@H]1C(=O)N1CCC(O)[C@H]1C(O)=O</smiles> is A  tripeptide composed of glycine, L-proline and 3-hydroxy-L-proline units joined in sequence by peptide linkages. It has the role of metabolite. Its functional parent is glycine. Its functional parent is L-proline. Its functional parent is 3-hydroxy-L-proline. It is also related to or classified as tripeptide .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A saturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of montanoyl-CoA. It is also related to or classified as ultra-long-chain fatty acyl-CoA(4-) . It is also related to or classified as 3-substituted propionyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA(4-) .
The molecule <smiles>C[C@H]1O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-4-dehydro-6-deoxy-beta-D-gulose. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>NC(=N)NCCCCCC(O)=O</smiles> is A member of the class of guanidines that consists of hexanoic acid substituted by a guanidino group at position 6. It has the role of metabolite. It is also related to or classified as guanidines.
The molecule <smiles>CCC(O)C(N)C(O)=O</smiles> is A non-proteinogenic amino-acid derivative that is norvaline (2-aminopentanoic acid) in which a hydrogen at position 3 is replaced by a hydroxy group. Its functional parent is 2-aminopentanoic acid. It is also related to or classified as non-proteinogenic amino acid derivative, non-proteinogenic alpha-amino acid.
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)Oc3ccc(cc3)[N+]([O-])=O)O2)c(=O)[nH]c1=O</smiles> is A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate that is the mono-p-nitrophenyl ester of thymidine 5'-monophosphate. Its functional parent is dTMP. It is also related to or classified as C-nitro compound, aryl phosphate, pyrimidine 2'-deoxyribonucleoside 5'-monophosphate.
The molecule <smiles>CCCC\C=C/C\C=C/C\C=C/CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z)-3-oxoicosatrienoic acid. It is a conjugate acid of (9Z,12Z,15Z)-3-oxoicosatrienoyl-CoA(4-). It is also related to or classified as 3-oxo-fatty acyl-CoA . It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as unsaturated fatty acyl-CoA.
The molecule <smiles>C[N+](C)(C)C(CCC([O-])=O)OC(=O)CCCCCCCCCCC(O)=O</smiles> is an O-acylcarnitine having 11-carboxyundecanoyl as the acyl substituent. It has the role of metabolite. Its functional parent is dodecanedioic acid. It is also related to or classified as O-acylcarnitine.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z)-tetracosenoic acid. Its functional parent is (15Z)-tetracosenoic acid. It is a conjugate acid of (15Z)-tetracosenoyl-CoA(4-). It is also related to or classified as monounsaturated fatty acyl-CoA, very long-chain fatty acyl-CoA.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybehenic acid. It is a conjugate acid of 2-hydroxybehenoyl-CoA(4-). It is also related to or classified as long-chain fatty acyl-CoA .  It is also related to or classified as 11,12-saturated fatty acyl-CoA . It is also related to or classified as hydroxy fatty acyl-CoA.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxytetracosanoic acid. Its functional parent is cerebronic acid. It is a conjugate acid of 2-hydroxytetracosanoyl-CoA(4-). It is also related to or classified as hydroxy fatty acyl-CoA, very long-chain fatty acyl-CoA.
The molecule <smiles>[H][C@]1(O[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H]1O)[C@@H](C)O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-beta-D-fucofuranose. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>[O-][N+](=O)C1CCCCC1</smiles> is A C-nitro compound that is cyclohexane in which a single hydrogen is replaced by a nitro group. It is also related to or classified as carbocyclic compound, nitrohydrocarbon.
The molecule <smiles>OC[C@H]1OC(=O)[C@H](O)[C@@H]1O</smiles> is A five-membered form of ribonolactone having D-configuration. It has the role of metabolite. Its functional parent is D-ribonic acid. It is also related to or classified as butan-4-olide, ribonolactone.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (17Z)-hexacosenoic acid. Its functional parent is (17Z)-hexacosenoic acid. It is a conjugate acid of (17Z)-hexacosenoyl-CoA(4-). It is also related to or classified as monounsaturated fatty acyl-CoA, very long-chain fatty acyl-CoA.
The molecule <smiles>NC(=O)NOC[C@@H]([NH3+])C([O-])=O</smiles> is an amino acid zwitterion resulting from the transfer of a proton from the carboxy to the amino group of O-ureido-D-serine. It is also related to or classified as amino-acid zwitterion.
The molecule <smiles>C[C@H]1O[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)C1=O</smiles> is A dTDP-sugar having 4-dehydro-6-deoxy-beta-D-gulose as the sugar component. It is a conjugate acid of dTDP-4-dehydro-6-deoxy-beta-D-gulose(2-). It is also related to or classified as dTDP-sugar .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 18 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>C\C=C\C=C</smiles> is an alkadiene consisting of pentane with the two double bonds located at positions 1 and 3. It is also related to or classified as alkadiene .
The molecule <smiles>CCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 15 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 20 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 16 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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</smiles> is an ultra-long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of octacosanoic acid (montanic acid). Its functional parent is octacosanoic acid. It is a conjugate acid of montanoyl-CoA(4-).  It is also related to or classified as saturated fatty acyl-CoA . It is also related to or classified as ultra-long-chain fatty acyl-CoA.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 22 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 14 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 24 carbons and 0 double bonds. It has the role of Caenorhabditis elegans metabolite. It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base . It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 19 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCC</smiles> is A ceramide that is the N-tetracosanoyl derivative of C17-sphingosine. Its functional parent is tetracosanoic acid. Its functional parent is C17 sphingosine(1+). It is also related to or classified as Cer(d41:1) . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base . It is also related to or classified as N-acylheptadecasphingosine .
The molecule <smiles>CCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphing-4-enine in which the acyl group has 14 carbons and 0 double bonds. It is also related to or classified as N-acyl-15-methylhexadecasphing-4-enine .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCC(C)C</smiles> is A N-acyl-15-methylhexadecasphinganine in which the acyl group has 17 carbons and 0 double bonds. It is also related to or classified as Cer(d34:0) . It is also related to or classified as N-acyl-15-methylhexadecasphinganine .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C</smiles> is A N-acyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 17 carbons and 0 double bonds. Its functional parent is 15-methylhexadecaphytosphingosine. It is also related to or classified as N-acyl-15-methylhexadecaphytosphingosine .