mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O.[Mn++].[O-]S([O-])(=O)=O</smiles> is A hydrate that is the monohydrate form of manganese(II) sulfate. It has the role of nutraceutical. It is also related to or classified as manganese molecular entity, hydrate, metal sulfate.
The molecule <smiles>OC(CC(O)=O)c1cccc(O)c1</smiles> is A dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3. It has the role of human urinary metabolite. Its functional parent is 3-hydroxypropionic acid. It is also related to or classified as phenols . It is also related to or classified as dihydroxy monocarboxylic acid.
The molecule <smiles>OCCC(O)C(O)=O</smiles> is A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 2 and 4 respectively. It is also related to or classified as 2-hydroxy fatty acid . It is also related to or classified as omega-hydroxy-short-chain fatty acid, hydroxybutyric acid.
The molecule <smiles>[H+].CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1</smiles> is an organic cation obtained by protonation of neutral red free base. It is a conjugate acid of neutral red base. It is also related to or classified as organic cation.
The molecule <smiles>OC[C@@H](O)[C@@H](O)CC([O-])=O</smiles> is A member of the class of ribonates that is the  conjugate base of 2-deoxy-D-ribonic acid. It has the role of human metabolite. It is also related to or classified as ribonates.
The molecule <smiles>O.O.O.O.[Mn++].[O-]S([O-])(=O)=O</smiles> is A hydrate that is the tetrahydrate form of manganese(II) sulfate. It has the role of nutraceutical. It is also related to or classified as manganese molecular entity, hydrate, metal sulfate.
The molecule <smiles>CCC(=O)C(C)C(O)=O</smiles> is A 3-oxo monocarboxylic acid that is valeric acid substituted by a methyl group at position 2 and a keto group at position 3. It has the role of human metabolite. Its functional parent is valeric acid. It is also related to or classified as 3-oxo monocarboxylic acid.
The molecule <smiles>OCC(O)CC(O)=O</smiles> is A omega-hydroxy fatty acid that is butyric acid substituted by hydroxy groups at positions 3 and 4 respectively. It has the role of human metabolite. Its functional parent is butyric acid.  It is also related to or classified as 3-hydroxy fatty acid . It is also related to or classified as omega-hydroxy-short-chain fatty acid.
The molecule <smiles>Cl.CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1</smiles> is A hydrochloride obtained by combining the free base of neutral red with one equivalent of hydrochloric acid. Neutral red acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. 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 hydrochloride.
The molecule <smiles>OC1(O)C(=O)c2ccccc2C1=O</smiles> is A member of the class of indanones that is indane-1,3-dione bearing two additional hydroxy substituents at position 2. It has the role of colour indicator. It has the role of human metabolite.  It is also related to or classified as ketone hydrate . It is also related to or classified as indanones, beta-diketone, aromatic ketone.
The molecule <smiles>O.O.O.O.Cl[Mn]Cl</smiles> is A hydrate that is the tetrahydrate form of manganese(II) chloride. It has the role of MRI contrast agent. It has the role of nutraceutical. It is also related to or classified as manganese coordination entity, hydrate, inorganic chloride.
The molecule <smiles>OC(=O)Cc1cccnc1</smiles> is A monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. It has the role of human xenobiotic metabolite. It is also related to or classified as monocarboxylic acid, pyridines.
The molecule <smiles>C[C@@H](O)[C@H](O)C(O)=O</smiles> is the (2S,3R)-stereoisomer of 2,3-dihydroxybutanoic acid. It has the role of human urinary metabolite. It is also related to or classified as 2,3-dihydroxybutanoic acid .
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O</smiles> is an androstanoid with a 5beta-configuration formed by reduction across the C4-C5 double bond of epitestosterone. It has the role of human xenobiotic metabolite. It is also related to or classified as 3-oxo-5beta-steroid . It is also related to or classified as 17alpha-hydroxy steroid, androstanoid.
The molecule <smiles>C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO</smiles> is A 3-oxo-5beta-steroid formed from 11-deoxycorticosterone by reduction across the C4-C5 double bond. It has the role of human xenobiotic metabolite. Its functional parent is 11-deoxycorticosterone. It is also related to or classified as primary alpha-hydroxy ketone . It is also related to or classified as 3-oxo-5beta-steroid . It is also related to or classified as 21-hydroxy steroid, 20-oxo steroid.
The molecule <smiles>COc1cc(\C=C\C(=O)O[C@@H]2C[C@@](O)(C[C@@H](O)[C@H]2O)C(O)=O)ccc1O</smiles> is A quinic acid that is the 3-O-feruloyl derivative of D-quinic acid. It has the role of plant metabolite. Its functional parent is (-)-quinic acid. Its functional parent is trans-ferulic acid.  It is also related to or classified as enoate ester . It is also related to or classified as quinic acid.
The molecule <smiles>CN(C)c1ccc2nc3cc(C)c(N)cc3nc2c1</smiles> is A member of the class of phenazines carrying methyl, amino and dimethylamino substituents at positions 2, 3 and 7 respectively. The free base of neutral red, which acts as a pH indicator, changing from red to yellow between pH 6.8 and 8.0. 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 aromatic amine, phenazines, primary amino compound, tertiary amino compound.
The molecule <smiles>Nc1nc(=O)n(cc1I)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1</smiles> is A 2'-deoxycytidine phosphate that is 2'-deoxycytidine-5'-triphosphate in which the hydrogen at position 5 on the cytosine ring is replaced by iodine. Its functional parent is dCTP.  It is also related to or classified as organoiodine compound . It is also related to or classified as 2'-deoxycytidine phosphate.
The molecule <smiles>OC(=O)c1ccc(O)o1</smiles> is A  hydroxy monocarboxylic acid that is furan substituted by a hydroxy group at position 5 and a carboxy group at position 2 respectively. It has the role of Saccharomyces cerevisiae metabolite. It is also related to or classified as furans, hydroxy monocarboxylic acid.
The molecule <smiles>CCC1C2CC(CN2C1=O)SCCN</smiles> is A member of the class of azabicycloalkanes that is 1-azabicyclo[3.2.0]heptan-7-one substituted at positions 3 and 6 by (2-aminoethyl)thio and ethyl groups respectively.  It is also related to or classified as beta-lactam . It is also related to or classified as aliphatic sulfide, azabicycloalkane, primary amino compound.
The molecule <smiles>C[C@@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A TDP-sugar having beta-L-rhamnose as the sugar component. It has the role of bacterial metabolite. It is a conjugate acid of TDP-beta-L-rhamnose(2-). It is also related to or classified as TDP-sugar.
The molecule <smiles>C[C@@H]1C[C@@H](O)CC(C)(C)C1=O</smiles> is A member of the class of hydroxycyclohexanones that is 4-hydroxycyclohexanone carrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the 4R,6R-diastereomer). It has the role of bacterial metabolite. It is also related to or classified as hydroxycyclohexanone.
The molecule <smiles>C[C@@H]1CC(=O)[C@@H](O)[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O1</smiles> is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-actinospectose; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>COC(=O)CCCC(O)=O</smiles> is A dicarboxylic acid monoester that the monomethyl ester of  glutaric acid. It has the role of human urinary metabolite. Its functional parent is glutaric acid. It is also related to or classified as dicarboxylic acid monoester.
The molecule <smiles>CC(CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]12C</smiles> is A bacterial hopanoid obtained by addition of an adenosyl group across the double bond of hopene. It has the role of bacterial metabolite.  It is also related to or classified as hopanoid . It is also related to or classified as adenosines.
The molecule <smiles>C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxochol-4-en-24-oic acid. It is a conjugate acid of 3-oxochol-4-en-24-oyl-CoA(4-). It is also related to or classified as steroidal acyl-CoA.
The molecule <smiles>C[C@@H]1O[C@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of TDP-beta-L-rhamnose; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>C[C@@H]1CC(=O)CC(C)(C)C1=O</smiles> is A member of the class of cyclohexanones that is cyclohexane-1,4-dionecarrying a gem-dimethyl group at position 2 and an additional methyl substituent at position 6 (the R-enantiomer). It has the role of bacterial metabolite. Its functional parent is cyclohexane-1,4-dione. It is also related to or classified as cyclohexanones.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC(CO)CO</smiles> is A monoacylglycerol 20:5 in which the acyl group specified at position 2 is (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is also related to or classified as 2-acylglycerol 20:5 .
The molecule <smiles>C[C@@H]1CC(=O)[C@@H](O)[C@@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc(C)c(=O)[nH]c2=O)O1</smiles> is A TDP-sugar having actinospectose as the sugar component. It has the role of bacterial metabolite. It is a conjugate acid of TDP-actinospectose(2-).  It is also related to or classified as secondary alpha-hydroxy ketone . It is also related to or classified as TDP-sugar.
The molecule <smiles>C[C@H](C=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxochola-4,22-dien-24-oic acid. It is a conjugate acid of 3-oxochola-4,22-dien-24-oyl-CoA(4-). It is also related to or classified as steroidal acyl-CoA.
The molecule <smiles>[H][C@@]12CC[C@]3([C@@](CCC3=O)([C@@]2(CC[C@]4(C=CCC[C@@]41C)[H])[H])[H])C</smiles> is an  androstanoid that is (5alpha)-androst-3-ene substituted by an oxo group at position 5. It has the role of human metabolite. It is also related to or classified as 17-oxo steroid . It is also related to or classified as androstanoid.
The molecule <smiles>CCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 28:1 in which the acyl groups specified at positions 1 and 2 are decanoyl and (9Z-octadecenoyl respectively. Its functional parent is oleic acid. It is also related to or classified as phosphatidylcholine 28:1 . It is also related to or classified as decanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(O)=O</smiles> is A polyunsaturated fatty acid that is hexacosanoic acid carrying double bonds at positions 5 and 9 respectively (the 5Z,9Z-isomer).  It is also related to or classified as very long-chain fatty acid . It is also related to or classified as polyunsaturated fatty acid, olefinic fatty acid, straight-chain fatty acid.
The molecule <smiles>C[C@H](C=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxochola-4,22-dien-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-) .
The molecule <smiles>CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC</smiles> is A phosphatidylcholine O-30:2 in which the alkyl and acyl group specified at positions 1 and 2 are (9Z)-hexadecenyl and (9Z)-tetradecenoyl respectively. Its functional parent is myristoleic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-30:2 .
The molecule <smiles>CCCCCCCCCCCCCCCC\C=C/CC\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A  phosphatidylcholine 42:2 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and (5Z,9Z)-hexacosadienoyl respectively. Its functional parent is hexadecanoic acid. Its functional parent is (5Z,9Z)-5,9-hexacosadienoic acid. It is also related to or classified as phosphatidylcholine 42:2 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCC(=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 42:4 in which the acyl groups specified at positions 1 and 2 are (6Z,9Z,12Z)-octadecatrienoyl and (15Z)-tetracosenoyl respectively. Its functional parent is gamma-linolenic acid. Its functional parent is (15Z)-tetracosenoic acid. It is also related to or classified as phosphatidylcholine 42:4 .
The molecule <smiles>C[C@H](CCC=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxocholesta-4,24-dien-26-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-) .
The molecule <smiles>[Na+].[Na+].[O-]P([O-])(F)=O</smiles> is sodium fluorophosphate, commonly abbreviated MFP, is an inorganic compound with the chemical formula Na2PO3F. Typical for a salt, MFP is odourless, colourless, and water-soluble. This salt is an ingredient in toothpastes. It has the role of antibacterial agent. It is also related to or classified as inorganic phosphate, inorganic sodium salt.
The molecule <smiles>CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC</smiles> is A phosphatidylcholine O-36:1 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (9Z)-eicosenoyl respectively. Its functional parent is gadoleic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-36:1 .
The molecule <smiles>CCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCC</smiles> is A phosphatidylcholine O-32:2 in which the alkyl and acyl groups specified at positions 1 and 2 are (9Z)-hexadecenyl and (9Z)-hexadecenoyl respectively. Its functional parent is palmitoleic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-32:2 .
The molecule <smiles>C[C@H](CCC=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxocholesta-4,24-dien-26-oic acid. It is a conjugate acid of 3-oxocholesta-4,24-dien-26-oyl-CoA(4-). It is also related to or classified as steroidal acyl-CoA.
The molecule <smiles>CCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine O-32:1 in which the alkyl and acyl groups specified at positions 1 and 2 are tetradecyl and (9Z)-octadecenoyl respectively. Its functional parent is oleic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-32:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[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 O-34:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (6Z,9Z,12Z)-octadecatrienoyl respectively. Its functional parent is gamma-linolenic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-34:3 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCCCC</smiles> is A phosphatidylcholine O-38:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (9Z)-eicosenoyl respectively. Its functional parent is gadoleic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-38:1 .
The molecule <smiles>C[C@H](CCC(=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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C</smiles> is an acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3. It is also related to or classified as steroidal acyl-CoA(4-) .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[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 O-36:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-36:3 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A phosphatidylcholine 40:3 in which the acyl groups specified at positions 1 and 2 are eicosanoyl and (11Z,14Z,17Z)-eicosatrienoyl respectively. Its functional parent is icosanoic acid. Its functional parent is all-cis-icosa-11,14,17-trienoic acid. It is also related to or classified as phosphatidylcholine 40:3 .
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O</smiles> is an acyclic mixed acid anhydride that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of 4-hydroxybenzoic acid. Its functional parent is adenosine 5'-monophosphate. Its functional parent is 4-hydroxybenzoic acid. It is a conjugate acid of 4-hydroxybenzoyl-AMP(1-). It is also related to or classified as purine ribonucleoside 5'-monophosphate, acyclic mixed acid anhydride.
The molecule <smiles>Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)c2ccc(O)cc2)[C@@H](O)[C@H]1O</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 4-hydroxybenzoyl-AMP; the major species at pH 7.3. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCC</smiles> is A phosphatidylcholine 30:2 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (9Z)-tetradecenoyl respectively. Its functional parent is myristoleic acid. Its functional parent is palmitoleic acid. It is also related to or classified as phosphatidylcholine 30:2 .
The molecule <smiles>CCCCCCCCCCCCCCCCOC[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 O-36:5 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl respectively. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-36:5 .
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 pent-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E)-pentenoic acid. It is also related to or classified as pent-2-enoyl-CoA .
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[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 O-38:3 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-38:3 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCOC[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 O-40:3 in which the alkyl and acyl groups specified at positions 1 and 2 are eicosyl and (8Z,11Z,14Z)-eicosatrienoyl respectively. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-40:3 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine O-38:2 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (11Z,14Z)-eicosadienoyl respectively. Its functional parent is (11Z,14Z)-icosadienoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-38:2 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC\C=C/CCCCCCCCCC</smiles> is A phosphatidylcholine O-40:1 in which the alkyl and acyl groups at positions 1 and 2 are octadecyl and (11Z)-docosenoyl respectively. Its functional parent is cetoleic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-40:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCOC[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/CCCCC</smiles> is A phosphatidylcholine O-40:5 in which the alkyl and acyl groups specified at positions 1 and 2 are octadecyl and (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl respectively. Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-40:5 .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine O-42:2 in which the alkyl and acyl groups specified at positions 1 and 2 are icosyl and (13Z,16Z)-docosadienoyl respectively. Its functional parent is (13Z,16Z)-docosadienoic acid. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine O-42:2 .