mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)nc1N</smiles> is A pyrimidine ribonucleoside 5'-monophosphate having 5-methylcytosine as the nucleobase. Its functional parent is cytidine 5'-monophosphate. It is also related to or classified as pyrimidine ribonucleoside 5'-monophosphate.
The molecule <smiles>Cc1c[nH]nc1C(O)=O</smiles> is A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 4 and 3 respectively. It has the role of metabolite. It is also related to or classified as monocarboxylic acid, pyrazoles.
The molecule <smiles>Cn1cnc2n(cnc2c1=N)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O</smiles> is A purine ribonucleoside 5'-monophosphate that is AMP monomethylated on N(1). Its functional parent is adenosine 5'-monophosphate. It is also related to or classified as purine ribonucleoside 5'-monophosphate.
The molecule <smiles>Cl.[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12</smiles> is A hydrochloride resulting from the reaction of equimolar amounts of 3,6-diamino-10-methylacridinium chloride and hydrogen chloride. It has the role of intercalator. It has the role of antibacterial agent. It has the role of antiseptic drug. It has the role of carcinogenic agent. It is also related to or classified as hydrochloride.
The molecule <smiles>CN1C(=NC=C1)C(O)=O</smiles> is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 1 and 2 respectively. It has the role of metabolite. It is also related to or classified as imidazolyl carboxylic acid.
The molecule <smiles>Cc1n[nH]cc1C(O)=O</smiles> is A member of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 3 and 4 respectively. It has the role of metabolite. It is also related to or classified as monocarboxylic acid, pyrazoles.
The molecule <smiles>Cc1cc(=O)[nH]c(=O)[nH]1</smiles> is A pyrimidone that is uracil with a methyl group at position 6. It has the role of metabolite. Its functional parent is uracil. It is also related to or classified as pyrimidone.
The molecule <smiles>Cc1cc(n[nH]1)C(O)=O</smiles> is A memebr of the class of pyrazoles that is 1H-pyrazole with methyl and carboxylic acid group substituents at positions 5 and 3 respectively. It has the role of metabolite. It is also related to or classified as monocarboxylic acid, pyrazoles.
The molecule <smiles>Cn1cnc(c1)C(O)=O</smiles> is 1-methyl-imidazole-4-carboxylic acid. It has the role of metabolite. It is also related to or classified as imidazolyl carboxylic acid.
The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1OC)n1ccc(N)nc1=O</smiles> is A nucleotide residue derived from 2'-O-methylcytidine 5'-monophosphate. It is a conjugate acid of 2'-O-methylcytidine 5'-monophosphate(1-) residue. It is also related to or classified as nucleotide residue.
The molecule <smiles>Cn1cc(cn1)C(O)=O</smiles> is A member of the class of pyrazoles that is N-methylpyrazole substituted by a carboxy group at position 4. It has the role of metabolite. Its functional parent is N-methylpyrazole. It is also related to or classified as monocarboxylic acid, pyrazoles.
The molecule <smiles>N=1C(=C(NC1)C)C(=O)O</smiles> is an imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively. It has the role of metabolite. It is also related to or classified as imidazolyl carboxylic acid.
The molecule <smiles>NC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-asparagine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>[H][C@]12N([C@H]3C[C@H](OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4OP(O)(=O)OC[C@H]4O[C@H](C[C@@H]4O)n4cc(C)c(=O)[nH]c4=O)n4cc(C)c1nc4=O)[C@@H](COP(O)(=O)O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C)c(=O)[nH]c1=O)O3)C(=O)NC(=O)[C@]2(C)O</smiles> is A single-stranded DNA oligonucleotide containing four consecutive thymidyl residues, T1, T2, T3 and T4, arranged in the direction from the 5'-terminus to the 3'-terminus, with a (6-4) lesion at the central T2 and T3 residues. It has the role of epitope. It is also related to or classified as single-stranded DNA oligonucleotide.
The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-tryptophan residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O</smiles> is A dipeptide formed from L-phenylalanine and L-proline residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC(N)Cc1cnc[nH]1</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position. It has the role of H3-receptor agonist. It has the role of animal metabolite. Its functional parent is histamine. It is also related to or classified as imidazoles, aralkylamino compound.
The molecule <smiles>OC(=O)C[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-aspartic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)N(C)C</smiles> is A nucleotide residue derived from N,N-dimethyladenosine 5'-monophosphate. It is a conjugate acid of N(6),N(6)-dimethyladenosine 5'-monophosphate(1-) residue. It is also related to or classified as nucleotide residue.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A quaternary ammonium ion resulting from the protonation of the amino group of aclacinomycin T. The major species at pH 7.3. It is a conjugate acid of aclacinomycin T. It is a conjugate acid of aclacinomycin T zwitterion. It is also related to or classified as anthracycline cation.
The molecule <smiles>NC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-glutamine residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>Cl.CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A hydrochloride resulting from the reaction of aclacinomycin T with an equimolar amount of hydrogen chloride. It has the role of antimicrobial agent. It has the role of antineoplastic agent. It is also related to or classified as hydrochloride.
The molecule <smiles>N=1C=C(NC1C(O)=O)C</smiles> is an  imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively. It has the role of metabolite. It is also related to or classified as imidazolyl carboxylic acid.
The molecule <smiles>O=C1NC(=O)C(=CN1C)C</smiles> is A pyrimidone that is uracil with methyl group substituents at positions 1 and 5. It has the role of metabolite. Its functional parent is uracil. It is also related to or classified as methylthymine.
The molecule <smiles>Cn1ccc(=O)n(C)c1=O</smiles> is A pyrimidone that is uracil with methyl group substituents at positions 1 and 3. It has the role of metabolite. Its functional parent is uracil. It is also related to or classified as pyrimidone.
The molecule <smiles>Cc1ncc(CCN)[nH]1</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the 2 position on the ring. It has the role of metabolite. It has the role of histamine agonist. Its functional parent is histamine. It is also related to or classified as imidazoles, aralkylamino compound.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O</smiles> is A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol in which the 1-acyl group is specified as stearoyl. It has the role of human metabolite. Its functional parent is octadecanoic acid. It is a conjugate acid of 1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-). It is also related to or classified as 1-acyl-sn-glycero-3-phospho-D-myo-inositol .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is hexacosanoic acid having five double bonds located at positions 11, 14, 17, 20, 23 (the 11Z,14Z,17Z,20Z,23Z-isomer). It is a conjugate acid of (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoate. It is also related to or classified as omega-3 fatty acid, hexacosapentaenoic acid.
The molecule <smiles>CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)C[C@@H]([NH3+])c1ccccc1</smiles> is an organic cation obtained by protonation of the amino group of 3'-N-debenzoyl-2'-deoxytaxol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of 3'-N-debenzoyl-2'-deoxytaxol. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 17, 20, 23, 26 and 29 (the 17Z,20Z,23Z,26Z,29Z-isomer). It is a conjugate acid of (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoate. It is also related to or classified as omega-3 fatty acid, dotriacontapentaenoic acid.
The molecule <smiles>OC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(O)=O</smiles> is A dipeptide formed from L-proline and L-glutamic acid residues. It has the role of metabolite. It is also related to or classified as dipeptide .
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of antimicrobial agent. It has the role of antineoplastic agent. It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor. It has the role of apoptosis inducer. It is also related to or classified as zwitterion .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is hexatriacontanoic acid having five double bonds located at positions 21, 24, 27, 30 and 33 (the 21Z,24Z,27Z,30Z,33Z-isomer). It is a conjugate acid of (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoate. It is also related to or classified as omega-3 fatty acid, hexatriacontapentaenoic acid.
The molecule <smiles>CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC</smiles> is A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin T. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has the role of antimicrobial agent. It has the role of antineoplastic agent. It is also related to or classified as zwitterion .
The molecule <smiles>CC[C@@H]1[C@@H](C)C2=[N+]3C1=Cc1c(C)c4C(=O)[C-](C(=O)OC)C5=C6[C@@H](CCC([O-])=O)[C@H](C)C7=[N+]6[Mg--]3(n1c45)n1c(=C7)c(C)c(C=C)c1=C2</smiles> is A cyclic tetrapyrrole anion that is obtained from 3-vinylbacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as monocarboxylic acid anion . It is also related to or classified as cyclic tetrapyrrole anion.
The molecule <smiles>Cc1[nH]cnc1CCN</smiles> is an aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. It has the role of metabolite. It has the role of histamine agonist. Its functional parent is histamine. It is also related to or classified as imidazoles, aralkylamino compound.
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is tetratriacontapentaenoic acid having five double bonds located at positions 19, 22, 25,28 and 31 (the 19Z,22Z,25Z,28Z,31Z-isomer). It is a conjugate acid of (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoate. It is also related to or classified as omega-3 fatty acid, tetratriacontapentaenoic acid.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain monounsaturated fatty acid that is hexacosanoic acid having a double bond at position 17 (the Z-isomer). It has the role of human metabolite. It is a conjugate acid of (17Z)-hexacosenoate. It is also related to or classified as hexacosenoic acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is octacosanoic acid having four double bonds located at positions 13, 16, 19, 22 (the 13Z,16Z,19Z,22Z-isomer). It is a conjugate acid of (13Z,16Z,19Z,22Z)-octacosatetraenoate. It is also related to or classified as omega-6 fatty acid, octacosatetraenoic acid.
The molecule <smiles>CC(C)(Oc1ccc(cc1)[C@H]1CCCc2ccccc12)C(O)=O</smiles> is A 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid that has R configuration at the chiral centre. It is also related to or classified as 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is triacontanoic acid having four double bonds located at positions 15, 18, 21 and 24 (the 15Z,18Z,21Z,24Z-isomer). It is a conjugate acid of (15Z,18Z,21Z,24Z)-triacontatetraenoate. It is also related to or classified as omega-6 fatty acid, triacontatetraenoic acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is tetracosanoic acid having four double bonds located at positions 11, 14, 17 and 20 (the 11Z,14Z,17Z,20Z-isomer). It is a conjugate acid of (11Z,14Z,17Z,20Z)-hexacosatetraenoate. It is also related to or classified as omega-6 fatty acid, hexacosatetraenoic acid.
The molecule <smiles>C1(C(=O)N)=CN([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@H]([C@H]2O)O)C=CC1</smiles> is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of NMNH; major species at pH 7.3. Its functional parent is NMN(+). It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>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-hydroxy fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxytetradecanoyl-CoA; major species at pH 7.3. It is also related to or classified as 3-hydroxy fatty acyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA(4-) . It is also related to or classified as 11,12-saturated fatty acyl-CoA(4-) .
The molecule <smiles>CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)n(C)c1=O</smiles> is A nucleotide residue derived from N(3)-methyluridine 5'-monophosphate. It is a conjugate acid of N(3)-methyluridine 5'-monophosphate(1-) residue. It is also related to or classified as nucleotide residue.
The molecule <smiles>CC(C)(Oc1ccc(cc1)[C@@H]1CCCc2ccccc12)C(O)=O</smiles> is A 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid that has S configuration at the chiral centre. It is also related to or classified as 2-methyl-2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]propanoic acid .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is octacosanoic acid having five double bonds located at positions 13, 16, 19, 22 and 25 (the 13Z,16Z,19Z,22Z,25Z-isomer). It is a conjugate acid of (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoate. It is also related to or classified as omega-3 fatty acid, octacosapentaenoic acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-6 fatty acid that is tetracosanoic acid having four double bonds located at positions 17, 20, 23 and 26 (the 17Z,20Z,23Z,26Z-isomer). It is a conjugate acid of (17Z,20Z,23Z,26Z)-dotriacontatetraenoate. It is also related to or classified as omega-6 fatty acid, dotriacontatetraenoic acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-6 fatty acid that is tetratriacontanoic acid having four double bonds located at positions 19, 22, 25 and 28 (the 15Z,18Z,21Z,24Z-isomer). It is a conjugate acid of (19Z,22Z,25Z,28Z)-tetratriacontatetraenoate. It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as omega-6 fatty acid.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-6 fatty acid that is hexatriacontanoic acid having four double bonds located at positions 21, 24, 27 and 30 (the 21Z,24Z,27Z,30Z-isomer). It is a conjugate acid of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoate.   It is also related to or classified as ultra-long-chain fatty acid . It is also related to or classified as omega-6 fatty acid, hexatriacontatetraenoic acid.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1-acyl-2-oleoyl-sn-glycerol-3-phosphate(2-) in which the 1-acyl group is also oleoyl. It is a conjugate acid of 1,2-dioleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as dioleoyl phosphatidic acid . It is also related to or classified as 1-acyl-2-oleoyl-sn-glycero-3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as oleoyl (9Z-octadecaenoyl). Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as linolenoyl (9Z,12Z,15Z-octadecatrienoyl). Its functional parent is alpha-linolenic acid. It is a conjugate acid of 1-linolenoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as linoleoyl and oleoyl respectively. Its functional parent is oleic acid. Its functional parent is linoleic acid. It is a conjugate acid of 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
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)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as linolenoyl and oleoyl respectively. Its functional parent is oleic acid. Its functional parent is alpha-linolenic acid. It is a conjugate acid of 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and linoleoyl respectively. Its functional parent is oleic acid. Its functional parent is linoleic acid. It is a conjugate acid of 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as heptadecanoyl. Its functional parent is heptadecanoic acid. It is a conjugate acid of 1-heptadecanoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and pentadecanoyl respectively. Its functional parent is oleic acid. Its functional parent is pentadecanoic acid. It is a conjugate acid of 1-oleoyl-2-pentadecanoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as oleoyl (9Z-octadecaenoyl). Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and heptadecanoyl respectively. Its functional parent is oleic acid. Its functional parent is heptadecanoic acid. It is a conjugate acid of 1-oleoyl-2-heptadecanoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as stearoyl (octadecanoyl). It has the role of metabolite. Its functional parent is octadecanoic acid. It is a conjugate acid of 1-stearoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1-acyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP(O)(O)=O</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as oleoyl and tetradecanoyl respectively. Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-2-myristoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycerol 3-phosphate in which the acyl substituents at positions 1 and 2 are specified as heptadecanoyl and oleoyl respectively. Its functional parent is oleic acid. Its functional parent is heptadecanoic acid. It is a conjugate acid of 1-heptadecanoyl-2-oleoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@@H](O)COP(O)(O)=O</smiles> is A 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as gamma-linolenoyl (6Z,9Z,12Z-octadecatrienoyl). Its functional parent is gamma-linolenic acid. It is a conjugate acid of gamma-linolenoyl-sn-glycero-3-phosphate(2-). It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate .
The molecule <smiles>CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(O)=O</smiles> is A very long-chain omega-3 fatty acid that is triacontahexaenoic acid having six double bonds located at positions 12, 15, 18, 21, 24 and 27 (the 12Z,15Z,18Z,21Z,24Z,27Z-isomer). It is a conjugate acid of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoate. It is also related to or classified as omega-3 fatty acid, triacontahexaenoic acid.