mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A 1,2-di-octadecenoylsn-glycero-3-phosphocholine in which the acyl group specified at positions 1 and 2 is 11Z)-octadecenoyl. Its functional parent is cis-vaccenic acid. It is also related to or classified as 1,2-di-octadecenoyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CCC\C=C/C=C\CCCCCCCCC(=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 polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (10E,12Z)-hexadecadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA(4-) .
The molecule <smiles>C[C@H](CCC[C@@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroid acid resulting from stereoselective oxidation of one of the terminal methyl groups of 4beta-hydroxycholesterol to the corresponding carboxylic acid. It has the role of human xenobiotic metabolite. It is a conjugate acid of (25R)-3beta,4beta-dihydroxycholest-5-en-26-oate(1-). It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid .  It is also related to or classified as 3beta-sterol . It is also related to or classified as monocarboxylic acid, steroid acid, cholestanoid, oxysterol, 4-hydroxy steroid.
The molecule <smiles>Nc1ccc(cc1S(O)(=O)=O)\N=N\c1ccc(cc1)S(O)(=O)=O</smiles> is A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at the para position by a sulfo group, while the other is substituted at a meta position by a sulfo group and at the para position by an amino group. The disodium salt is the biological stain 'fast yellow'. It is a conjugate acid of 4-aminoazobenzene-3,4'-disulfonate. It is also related to or classified as azobenzenes .  It is also related to or classified as primary arylamine . It is also related to or classified as amino sulfonic acid.
The molecule <smiles>[C@@H](COC(CCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)(=O)[O-])OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O</smiles> is A phosphatidylcholine 36:3 in which the acyl groups at positions 1 and 2 are specified as hexadecanoyl and (5Z,8Z,11Z)-icosatrienoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid. It is also related to or classified as 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine .
The molecule <smiles>[Na+].[Na+].Nc1ccc(cc1S([O-])(=O)=O)\N=N\c1ccc(cc1)S([O-])(=O)=O</smiles> is an organic sodium salt that is 4-aminoazobenzene-3,4'-disulfonic acid in which the protons of both of the sulfo groups have been replaced by sodium ions. It is used as a biological stain. It was formerly used as a food coloring agent (E105), but its use in food or drinks is now forbidden. It has the role of histological dye. It is also related to or classified as organic sodium salt.
The molecule <smiles>CCCCC\C=C/C=C/C=C/CCCCCCC(O)=O</smiles> is A conjugated linolenic acid having three double bonds located at positions 8, 10 and 12 (the 8E,10E,12Z-geoisomer). It has the role of plant metabolite. It is also related to or classified as omega-6 fatty acid, conjugated linolenic acid.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z,15Z)-octadecatrienoyl and (9Z)-octadecenoyl respectively. Its functional parent is oleic acid. Its functional parent is alpha-linolenic acid. It is also related to or classified as phosphatidylcholine 36:4 .
The molecule <smiles>CCC\C=C/C=C\CCCCCCCCC(=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 unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (10E,12Z)-hexadecadienoic acid. It is a conjugate acid of (10E,12Z)-hexadecadienoyl-CoA(4-). 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)CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1CC3</smiles> is A 3beta-sterol that is 5alpha-cholestane-3beta-ol having double bonds at the 8,9- and 14,15- positions. It is also related to or classified as 3beta-sterol .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A  phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z)-octadecatrienoyl and (9Z)-octadecenoyl respectively. Its functional parent is oleic acid. Its functional parent is gamma-linolenic acid. It is also related to or classified as phosphatidylcholine 36:4 .
The molecule <smiles>C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C=O</smiles> is A 26-oxo steroid resulting from the oxidation of the terminal methyl group of 4beta,26-dihydroxycholesterol to the corresponding aldehyde. It has the role of human xenobiotic metabolite.  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid . It is also related to or classified as 3beta-sterol . It is also related to or classified as steroid aldehyde, 26-oxo steroid, cholestanoid, oxysterol, 4-hydroxy steroid.
The molecule <smiles>Nc1ccc(cc1S([O-])(=O)=O)\N=N\c1ccc(cc1)S([O-])(=O)=O</smiles> is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-aminoazobenzene-3,4'-disulfonic acid. It is also related to or classified as organosulfonate oxoanion .
The molecule <smiles>[NH4+].[NH4+].O.O.O.O.O.O.[Ni++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A hydrate that is the hexahydrate form of ammonium nickel sulfate. It is also related to or classified as nickel coordination entity, hydrate, ammonium salt, metal sulfate.
The molecule <smiles>CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an oxysterol that is cholesterol which is substituted by hydroxy groups at positions 7alpha and 22R. It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid . It is also related to or classified as 7alpha-hydroxy steroid . It is also related to or classified as 22-hydroxy steroid, cholestanoid, oxysterol.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 36:4  in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (9Z,12Z,15Z)-octadecatrienoyl respectively. Its functional parent is oleic acid. Its functional parent is alpha-linolenic acid. It is also related to or classified as phosphatidylcholine 36:4 .
The molecule <smiles>C[C@H](CC[C@@H]1OC1(C)C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an oxysterol that is (24S,25)-epoxycholesterol bearing a hydroxy substituent at the 7alpha-position.  It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid . It is also related to or classified as 3beta-sterol . It is also related to or classified as 7alpha-hydroxy steroid . It is also related to or classified as epoxy steroid, cholestanoid, oxysterol.
The molecule <smiles>O.O.O.O.[Cd++].[O-][N+]([O-])=O.[O-][N+]([O-])=O</smiles> is A hydrate that is the tetrahydrate form of cadmium nitrate. It has the role of genotoxin. It has the role of carcinogenic agent. It has the role of hepatotoxic agent. It is also related to or classified as hydrate, cadmium salt, inorganic nitrate salt.
The molecule <smiles>[NH4+].[NH4+].[Ni++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A nickel coordination entity comprising ammonium, nickel and sulfate in which the ratio of ammonium to iron(2+) to sulfate ions is 2:1:2. It is also related to or classified as nickel coordination entity, ammonium salt, metal sulfate.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z,12Z)-octadecatrienoyl respectively. Its functional parent is oleic acid. Its functional parent is gamma-linolenic acid. It is also related to or classified as phosphatidylcholine 36:4 .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 36:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (6Z,9Z,12Z,15Z)-octadecatetraenoyl respectively. Its functional parent is octadecanoic acid. Its functional parent is all-cis-octadeca-6,9,12,15-tetraenoic acid. It is also related to or classified as phosphatidylcholine 36:4 .
The molecule <smiles>CC(C)c1cc(c(C)c(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C(C)C)c(O)c(Br)c1C</smiles> is A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-isopropyl-2-methylphenyl groups. It has the role of dye. It has the role of acid-base indicator. It has the role of two-colour indicator.  It is also related to or classified as organobromine compound .  It is also related to or classified as sultone . It is also related to or classified as polyphenol, 2,1-benzoxathiole, arenesulfonate ester.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](COS(O)(=O)=O)O[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is alpha-L-Fucp-(1->2)-beta-D-Galp6S-(1->4)-D-Glcp in which the anomeric configuration of the glucose residue at the reducing end is beta. It is also related to or classified as alpha-L-Fucp-(1->2)-beta-D-Galp6S-(1->4)-D-Glcp .
The molecule <smiles>O.O.O.O.[Ca++].[O-][N+]([O-])=O.[O-][N+]([O-])=O</smiles> is A hydrate that is the tetrahydrate form of calcium nitrate. It is also related to or classified as calcium salt, hydrate, inorganic nitrate salt.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 36:6 in which the acyl groups specified at positions 1 and 2 is (9Z,12Z,15Z)-octadecatrienoyl. Its functional parent is alpha-linolenic acid. It is also related to or classified as phosphatidylcholine 36:6 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is also related to or classified as phosphatidylcholine 36:5 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are docosanoyl and hexadecanoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is docosanoic acid. It is also related to or classified as phosphatidylcholine 38:0 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC</smiles> is A  phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are tetracosanoyl and tetradecanoyl respectively. Its functional parent is tetracosanoic acid. It is also related to or classified as phosphatidylcholine 38:0 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CC(C)=CCc1cc2c3oc4cc(O)ccc4c3c(=O)oc2cc1O</smiles> is A member of the class of  coumestans that is  coumestan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 2 respectively. It has the role of estrogen receptor agonist. It has the role of plant metabolite. Its functional parent is coumestan. It is also related to or classified as delta-lactone .  It is also related to or classified as coumestans . It is also related to or classified as polyphenol.
The molecule <smiles>O.O.O.O.O.O.O.O.[Cd++].[Cd++].[Cd++].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles> is A hydrate composed of cadmium sulfate and water in a 3:8 ratio. It is also related to or classified as hydrate, cadmium salt.
The molecule <smiles>Cc1cc(cc(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(Br)c1</smiles> is A member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations. It has the role of dye. It has the role of acid-base indicator. It has the role of two-colour indicator.  It is also related to or classified as organobromine compound .  It is also related to or classified as sultone . It is also related to or classified as polyphenol, 2,1-benzoxathiole, arenesulfonate ester.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are tetradecanoyl and tetracosanoyl respectively. Its functional parent is tetracosanoic acid. It is also related to or classified as phosphatidylcholine 38:0 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CC\C=C\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 2,3-trans-enoyl CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (2E)-pentenoyl-CoA; major species at pH 7.3. It is also related to or classified as 2,3-trans-enoyl CoA(4-) . It is also related to or classified as pent-2-enoyl-CoA(4-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A phosphatidylcholine 38:0 in which the acyl groups at positions 1 and 2 are specified as eicosanoyl and octadecanoyl respectively. Its functional parent is icosanoic acid. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 38:0 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and eicosanoyl respectively. Its functional parent is oleic acid. Its functional parent is icosanoic acid. It is also related to or classified as phosphatidylcholine 38:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and eicosanoyl respectively. Its functional parent is icosanoic acid. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 38:0 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (13Z)-docosenoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is erucic acid. It is also related to or classified as phosphatidylcholine 38:1 .
The molecule <smiles>CCCCCCCCCCCCCC(=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 36:6 in which the acyl groups at positions 1 and 2 tetradecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is also related to or classified as phosphatidylcholine 36:6 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>C[C@@H](CO)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an oxysterol that is cholesterol which is substituted by hydroxy groups at positions 24S and 27 and has S-configuration at position 25. It has the role of human xenobiotic metabolite. It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid . It is also related to or classified as 3beta-sterol . It is also related to or classified as 26-hydroxy steroid, 24-hydroxy steroid, cholestanoid, oxysterol.
The molecule <smiles>[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)(COP(OCC[N+](C)(C)C)(=O)[O-])OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O</smiles> is A phosphatidylcholine 36:3 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and (5Z,8Z,11Z)-icosatrienoyl respectively. Its functional parent is octadecanoic acid. Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid. It is also related to or classified as 1-stearoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are tetradecanoyl and (15Z)-tetracosenoyl respectively. Its functional parent is (15Z)-tetracosenoic acid. It is also related to or classified as phosphatidylcholine 38:1 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and docosanoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is docosanoic acid. It is also related to or classified as phosphatidylcholine 38:0 .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (11Z)-eicosenoyl respectively. Its functional parent is octadecanoic acid. Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as phosphatidylcholine 38:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 38:5 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 38:5 .
The molecule <smiles>COc1cc2O[C@H](Cc2c2oc3c(O)cccc3c(=O)c12)[C@@]1(C)CO1</smiles> is an organic heterotetracyclic compound that is 1,2-dihydro-6H-furo[2,3-c]xanthene substituted by a hydroxy group at position 10, a methoxy group at position 5 nad a 2-methyloxiran-2-yl group at position 2. It has the role of antineoplastic agent. It has the role of plant metabolite. It is also related to or classified as epoxide . It is also related to or classified as organic heterotetracyclic compound, xanthones.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A  phosphatidylcholine 38:1 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z)-octadecenoyl respectively. Its functional parent is icosanoic acid. Its functional parent is cis-vaccenic acid. It is also related to or classified as phosphatidylcholine 38:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 38:1 in which the acyl groups at positions 1 and 2 are eicosanoyl and (9Z)-octadecenoyl respectively. Its functional parent is oleic acid. Its functional parent is icosanoic acid. It is also related to or classified as phosphatidylcholine 38:1 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 38:6 in which the acyl groups specified at positions 1 and 2 are (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and hexadecanoyl respectively. 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>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z)-eicosenoyl respectively. Its functional parent is icosanoic acid. Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as phosphatidylcholine 40:1 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\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 specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. Its functional parent is oleic acid. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is also related to or classified as phosphatidylcholine 38:6 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are (11Z)-octadecenoyl and docosanoyl respectively. Its functional parent is docosanoic acid. Its functional parent is cis-vaccenic acid. It is also related to or classified as phosphatidylcholine 40:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A  phosphatidylcholine 38:3 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. Its functional parent is octadecanoic acid. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as 1-stearoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 38:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z)-eicosatrienoyl respectively. Its functional parent is oleic acid. Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid. It is also related to or classified as phosphatidylcholine 38:4 .
The molecule <smiles>CCCCOC(=O)c1ccccc1N</smiles> is A benzoate ester obtained by formal condensation of the carboxy group of anthranilic acid with the hydroxy group of butanol. Found in several fruit species, it is used as a flavouring and fragrance agent and also exhibits insect repellent properties. It has the role of flavouring agent. It has the role of fragrance. It has the role of insect repellent. It has the role of plant metabolite. Its functional parent is butan-1-ol. Its functional parent is anthranilic acid. It is also related to or classified as benzoate ester, substituted aniline.
The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\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 specified at positions 1 and 2 are (11Z)-octadecenoyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. Its functional parent is cis-vaccenic acid. It is also related to or classified as phosphatidylcholine 38:6 .