mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@H](O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acyllysophosphatidylethanolamine in which the N-acyl group is specified as icosanoyl while the phosphatidyl acyl group is specified as oleoyl; major species at pH 7.3. Its functional parent is oleic acid. Its functional parent is icosanoic acid. It is a conjugate acid of N-icosanoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyllysophosphatidylethanolamine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is an N-acyllysophosphatidylethanolamine(1-) in which the N-acyl group is specified as arachidonoyl while the phosphatidyl acyl group is specified as oleoyl; major species at pH 7.3. It is also related to or classified as N-acyllysophosphatidylethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phytoceramide in which the N-acyl group is specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. It is also related to or classified as N-acylphytosphingosine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(=O)OC[C@H](O)COC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acyllysophosphatidylethanolamine in which both the N- and O-acyl group are specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. It is a conjugate acid of N,1-dioleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyllysophosphatidylethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as octadecanoyl (stearoyl); major species at pH 7.3. It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine(1-) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is an N-acyllysophosphatidylethanolamine in which the N-acyl group is specified as arachidonoyl while the phosphatidyl acyl group is specified as oleoyl. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is a conjugate acid of N-arachidonoyl-1-oleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyllysophosphatidylethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as octadecanoyl (stearoyl). Its functional parent is octadecanoic acid. It is a conjugate acid of N-octadecanoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as hexadecanoyl; major species at pH 7.3. It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as icosanoyl; major species at pH 7.3. It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine(1-) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-(9Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphate; major species at pH 7.3. It is also related to or classified as 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCOC[C@H](COP(O)(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1-alkyl-2-acyl-sn-glycerol 3-phosphate in which the alkyl and the acyl groups at positions 1 and 2 are specified as 9Z-octadecenyl and arachidonoyl respectively. Its functional parent is arachidonic acid. It is a conjugate acid of 1-(9Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-alkyl-2-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOP(O)(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as arachidonoyl (5Z,8Z,11Z,14Z-icosatetraenoyl). Its functional parent is arachidonic acid. It is a conjugate acid of N-arachidonoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as icosanoyl. Its functional parent is icosanoic acid. It is a conjugate acid of N-icosanoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>Cc1cc(ccc1O)C(O)=O</smiles> is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methyl group at position 3. It has the role of human blood serum metabolite. It is also related to or classified as monohydroxybenzoic acid, toluenes.
The molecule <smiles>CCC1CCC(=O)O1</smiles> is A gamma-lactone that is oxolan-2-one substituted by an ethyl group at position 5. It has the role of human blood serum metabolite. It is also related to or classified as butan-4-olide.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCOP(O)(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP([O-])(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine(1-) .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCOP([O-])(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl; major species at pH 7.3. It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine(1-) .
The molecule <smiles>CCCCCCCC(=O)OCC(O)CO</smiles> is A 1-monoglyceride that has octanoyl as the acyl group. It is also related to or classified as 1-monoglyceride . It is also related to or classified as octanoate ester .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)NCCO</smiles> is an N-acylethanolamine 22:6 that is the ethanolamide of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is also related to or classified as N-acylethanolamine 22:6 . It is also related to or classified as endocannabinoid.
The molecule <smiles>CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(=O)OCC(O)CO)[C@@H](O)CC1=O</smiles> is A 1-monoglyceride resulting from the condensation of the carboxy group of prostaglandin D2 with the 1-hydroxy group of glycerol. It has the role of human metabolite. Its functional parent is prostaglandin D2. It is also related to or classified as secondary allylic alcohol . It is also related to or classified as prostaglandins D . It is also related to or classified as 1-monoglyceride . It is also related to or classified as alicyclic ketone.
The molecule <smiles>OC[C@@H](O)[C@@H](O)C(=O)[C@@H](O)C([O-])=O</smiles> is A keto-D-gluconate that is the conjugate base of 3-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group.  It is also related to or classified as 3-oxo monocarboxylic acid anion . It is also related to or classified as keto-D-gluconate.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)NCCO</smiles> is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of eicosanoic acid. Its functional parent is icosanoic acid. It is also related to or classified as N-(long-chain-acyl)ethanolamine . It is also related to or classified as N-(saturated fatty acyl)ethanolamine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine in which the N-acyl group is specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. It is a conjugate acid of N-oleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCCCCCCCC(=O)NCCO</smiles> is an N-(long-chain-acyl)ethanolamine resulting from the formal condensation of the carboxy group of tetradecanoic acid (myristic acid) with the amino group of ethanolamine. Its functional parent is tetradecanoic acid. It is also related to or classified as N-(long-chain-acyl)ethanolamine . It is also related to or classified as N-(saturated fatty acyl)ethanolamine .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOP([O-])(=O)OC[C@H](O)CO</smiles> is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as arachidonoyl (5Z,8Z,11Z,14Z-icosatetraenoyl); major species at pH 7.3. It is also related to or classified as N-acyl-sn-glycero-3-phosphoethanolamine(1-) .
The molecule <smiles>OC[C@@H](O)[C@@H](O)C(=O)[C@@H](O)C(O)=O</smiles> is A ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 3 has been oxidised to the corresponding ketone. Its functional parent is D-gluconic acid. It is a conjugate acid of 3-dehydro-D-gluconate. It is also related to or classified as hydroxy monocarboxylic acid, 3-oxo monocarboxylic acid, keto-D-gluconic acid.
The molecule <smiles>CCCCCCCCCCCC(=O)NCCO</smiles> is an N-(long-chain-acyl)ethanolamine resulting from the formal condensation of the carboxy group of dodecanoic acid (myristic acid) with the amino group of ethanolamine. Its functional parent is dodecanoic acid. It is also related to or classified as N-(long-chain-acyl)ethanolamine . It is also related to or classified as N-(saturated fatty acyl)ethanolamine .
The molecule <smiles>[Cl-].CCCc1ncc(C[n+]2ccccc2C)c(N)n1</smiles> is an organic chloride salt having 1-[(4-amino-2-propylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium as the counterion. Used for prevention of coccidiosis in poultry and cattle. It has the role of coccidiostat. It is also related to or classified as organic chloride salt, pyridinium salt.
The molecule <smiles>CC(=O)CC(=O)OC\C=C(/C)CCC=C(C)C</smiles> is A monoterpenoid that is the carboxylic ester obtained by the formal condensation of  geraniol with acetoacetic acid. It has the role of human blood serum metabolite. Its functional parent is acetoacetic acid. Its functional parent is geraniol.  It is also related to or classified as carboxylic ester . It is also related to or classified as monoterpenoid.
The molecule <smiles>CCCCCCCCCCCCCC\C=C/CCCC(=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 (5Z)-icosenoic acid. It is a conjugate acid of (5Z)-icosenoyl-CoA(4-).  It is also related to or classified as long-chain fatty acyl-CoA . It is also related to or classified as monounsaturated fatty acyl-CoA.
The molecule <smiles>CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(=O)OC(CO)CO)C=CC1=O</smiles> is A 2-monoglyceride resulting from the condensation of the carboxy group of 15-deoxy-Delta(12,14)-prostaglandin J2 with the  hydroxy group at position 2 of glycerol. Its functional parent is 15-deoxy-Delta(12,14)-prostaglandin J2. It is also related to or classified as 2-monoglyceride . It is also related to or classified as prostaglandins J .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC</smiles> is A dipalmitoyl phosphatidylglycerol in which the stereocentre of the acylated glycerol portion has R-configuration. It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycero-3-phosphoglycerol(1-). It is also related to or classified as dipalmitoyl phosphatidylglycerol .
The molecule <smiles>C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O</smiles> is A 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (S)-enantiomer of flumequine. It is also related to or classified as 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid .
The molecule <smiles>CCCc1ncc(C[n+]2ccccc2C)c(N)n1</smiles> is A pyridinium ion that is the cationic portion of amprolium, a veterinary drug which is used for prevention of coccidiosis in poultry and cattle. It has the role of coccidiostat. It is also related to or classified as pyridinium ion.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC</smiles> is A phosphatidylglycerol(1-) that is the conjugate base of 1,2-dihexadecanoyl-sn-glycero-3-phosphoglycerol obtained by deprotonation of the phosphate hydroxy group; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoglycerol(1-) . It is also related to or classified as phosphatidylglycerol(1-) .
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC</smiles> is A dihydroceramide in which the ceramide N-acyl group is specified as dodecanoyl (lauroyl). Its functional parent is dodecanoic acid. It is also related to or classified as N-acylsphinganine .
The molecule <smiles>C[C@@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O</smiles> is A 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid that is the (R)-enantiomer of flumequine. It is also related to or classified as 9-fluoro-5-methyl-1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-2-carboxylic acid .
The molecule <smiles>CC1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O</smiles> is A member of the class of pyridoquinolines that is 1-oxo-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline carrying additional carboxy, methyl and fluoro substituents at positions 2, 5 and 9 respectively. It is also related to or classified as organofluorine compound . It is also related to or classified as pyridoquinoline, 3-oxo monocarboxylic acid, quinolone antibiotic.
The molecule <smiles>CCCCCCCCCCCCCC\C=C/CCCC(=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 monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (5Z)-icosenoyl-CoA; major species at pH 7.3. It is also related to or classified as monounsaturated fatty acyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA(4-) .
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCC</smiles> is an N-icosenoylsphingosine in which the double bond is located at position 11 (the Z-geoisomer). Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as N-icosenoylsphingosine .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as arachidonoyl while the phosphatidyl acyl groups are both specified as oleoyl. Its functional parent is arachidonic acid. Its functional parent is oleic acid. It is a conjugate acid of N-arachidonoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acylphosphatidylethanolamine .
The molecule <smiles>C\C=C1/[C@@H](C)C(=O)N/C/1=C\C1=N\C(=C/c2[nH]c(C[C@H]3NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)\C(CCC(O)=O)=C1C</smiles> is the (3E)-isomer of phycoerythrobilin. It is a conjugate acid of (3E)-phycoerythrobilin(2-). It is also related to or classified as phycoerythrobilin.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as arachidonoyl while the phosphatidyl acyl groups are both specified as oleoyl; major species at pH 7.3. It is also related to or classified as N-arachidonoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine(1-) . It is also related to or classified as N-acylphosphatidylethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCC</smiles> is an N-icosenoylphytosphingosine in which the double bond is located at position 11 (the Z-geoisomer). Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as N-icosenoylphytosphingosine .
The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP([O-])(=O)OP([O-])([O-])=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C([O-])=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C([O-])=O)[C@H]1OP([O-])([O-])=O</smiles> is A carbohydrate acid derivative anion obtained by deprotonation of the carboxy, phosphate and diphosphate functions of (Kdo)2-lipid A 1-diphosphate; major species at pH 7.3. It is also related to or classified as an alpha-D-Kdo-(2->4)-alpha-D-Kdo-(2->6)-lipid A 1-diphosphate(7-) . It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as carbohydrate acid derivative anion, anionic phospholipid.
The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(O)=O</smiles> is A lipid A derivative, comprising lipid A glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues and having a diphosphate in place of the phosphate group at position 1. Its functional parent is lipid A (E. coli). It is a conjugate acid of (Kdo)2-lipid A 1-diphosphate(7-) (E. coli).  It is also related to or classified as dodecanoate ester . It is also related to or classified as tetradecanoate ester . It is also related to or classified as lipid As.
The molecule <smiles>[H][C@]1(CC2=C(C)C(CCC([O-])=O)=C(N2)\C=C2/N=C(/C=C3\NC(=O)[C@H](C)\C\3=C/C)C(C)=C2CCC([O-])=O)NC(=O)C(C=C)=C1C</smiles> is A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (3E)-phycoerythrobilin; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion . It is also related to or classified as linear tetrapyrrole anion.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine in which the N-acyl group and the phosphatidyl acyl groups are specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. It is a conjugate acid of N,1,2-trioleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-oleoyl-1,2-diacyl-sn-glycero-3-phosphoethanolamine . It is also related to or classified as N-acylphosphatidylethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as stearoyl (octadecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCC(=O)NCCOP([O-])(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as lauroyl (dodecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as myristoyl (tetradecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. Its functional parent is tetradecanoic acid. It is a conjugate acid of N-myristoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acylphosphatidylethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as capryl (decanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively. Its functional parent is hexadecanoic acid. Its functional parent is linoleic acid. Its functional parent is decanoic acid. It is a conjugate acid of N-capryl-1-palmitoyl-2-linoleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acylphosphatidylethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)CCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as capryl (decanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively; major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC\C=C/CCCCCCCC</smiles> is an N-icosenoylsphinganine in which the double bond is located at position 11 (the Z-geoisomer). Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as N-icosenoylsphinganine . It is also related to or classified as Cer(d38:1) .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCCNC(=O)CCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is an N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as capryloyl (octanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively; major species at pH 7.3. It is also related to or classified as N-acylphosphatidylethanolamine(1-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as stearoyl (octadecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. Its functional parent is octadecanoic acid. It is a conjugate acid of N-stearoyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acylphosphatidylethanolamine .
The molecule <smiles>CCCCCCCCCCCC(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is an N-acylphosphatidylethanolamine in which the N-acyl group is specified as lauroyl (dodecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl). Its functional parent is oleic acid. Its functional parent is dodecanoic acid. It is a conjugate acid of N-lauroyl-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine(1-). It is also related to or classified as N-acylphosphatidylethanolamine .