mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (9Z)-hexadecenoyl (palmitoleoyl) and (9Z)-octadecenoyl (oleoyl) respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. Its functional parent is palmitoleic acid. It is also related to or classified as phosphatidylcholine 34:2 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=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 38:6 in which the acyl groups at C-1 and C-2 are specified as palmitoyl and (4E,7E,10E,13E,16E,19E)-docosahexaenoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as phosphatidylcholine 38:6 .
The molecule <smiles>CCCCCCCCCCCCC\C=C/C(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (2Z)-hexadecenoyl and (9Z)-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. It is also related to or classified as phosphatidylcholine 34:2 .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC\C=C/C=C\CCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (10Z,12Z)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. Its functional parent is dihomolinoleic acid. It is also related to or classified as phosphatidylcholine 36:2 .
The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (9Z)-hexadecenoyl and (11Z)-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is palmitoleic acid. Its functional parent is cis-vaccenic acid. It is also related to or classified as phosphatidylcholine 34:2 .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 32:1 in which the acyl groups at C-1 and C-2 are tetradecanoyl and (9Z)-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. It is also related to or classified as phosphatidylcholine 32:1 . It is also related to or classified as tetradecanoate ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (6Z,9Z)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. Its functional parent is (6Z,9Z)-octadecadienoic acid. It is also related to or classified as phosphatidylcholine 36:2 .
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 38:4 in which the acyl groups at positions 1 and 2 are octadecanoyl and (8Z,10Z,12Z,14Z)-eicosatetraenoyl respectively. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 38:4 .
The molecule <smiles>CCCCCC\C=C/CCCCCCCCCC(=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 40:7 in which the acyl groups at C-1 and C-2 are (11Z)-octadecenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. Its functional parent is cis-vaccenic acid. It is also related to or classified as phosphatidylcholine 40:7 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine O-38:5 in which the alkenyl group at position 1 is (9Z)-octadecenyl and the acyl group at position 2 is (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. It has the role of mouse metabolite. Its functional parent is arachidonic acid. It is also related to or classified as phosphatidylcholine O-38:5 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C</smiles> is A phosphatidylcholine O-34:1 in which the alkenyl group at position 1 is (9Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as phosphatidylcholine O-34:1 .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\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 at positions 1 and 2 are hexadecanoyl and (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. Its functional parent is (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid. It is also related to or classified as phosphatidylcholine 38:5 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=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 40:7 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic 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 40:7 .
The molecule <smiles>C(C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)CC(O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])CO/C=C\CCCCCCCCCCCCCCCC)=O</smiles> is A  phosphatidylcholine (P-38:4) in which the alkenyl group at position 1 is (1Z)-octadecenyl and the acyl group at position 2 is (5Z,8Z,11Z,14Z)-icosatetraenoyl. It has the role of mouse metabolite. Its functional parent is arachidonic acid. It is also related to or classified as 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphocholine . It is also related to or classified as phosphatidylcholine (P-38:4) .
The molecule <smiles>CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC</smiles> is A 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine in which the alkenyl group at position 1 is (1Z)-octadecenyl and the acyl group at position 2 is hexadecanoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/CCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 7Z-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCC\C=C/CCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 11Z-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. Its functional parent is cis-vaccenic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCC\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/CCCCC</smiles> is A phosphatidylcholine 36:5 in which the acyl groups specified at positions 1 and 2 are (9Z)-hexadecenoyl and (5Z,8Z,11Z,14Z)-eicosatetraenoyl respectively. It has the role of mouse metabolite. Its functional parent is arachidonic acid. Its functional parent is palmitoleic acid. It is also related to or classified as phosphatidylcholine 36:5 .
The molecule <smiles>C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1</smiles> is A tripeptide consisting of Gln-Ala-Arg carrying a Boc group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal.   It is also related to or classified as tripeptide . It is also related to or classified as carbamate ester, coumarins.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C=C\C=C/C=C\C=C/C=C/CC</smiles> is A phosphatidylcholine 40:6 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (9Z,11Z,13Z,15Z,17Z,19E)-docosahexaenoyl respectively. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 40:6 .
The molecule <smiles>CC(=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an O-acyl-L-carnitine in which the acyl group is specified as acetoacetyl. Its functional parent is acetoacetic acid. It is also related to or classified as oxo-fatty acyl-L-carnitine . It is also related to or classified as O-acyl-L-carnitine .
The molecule <smiles>CC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an optically active form of O-isobutyrylcarnitine having (R)-configuration. It has the role of human metabolite. It is also related to or classified as saturated fatty acyl-L-carnitine . It is also related to or classified as methyl-branched fatty acyl-L-carnitine . It is also related to or classified as short-chain fatty acyl-L-carnitine . It is also related to or classified as O-isobutyrylcarnitine .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)\C=C\C=C\CCCCCCCCCCCCC</smiles> is A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (2E,4E)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 36:2 .
The molecule <smiles>CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C\CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl. It has the role of mouse metabolite. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
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/CCCCCCCC</smiles> is A phosphatidylcholine 36:3 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. Its functional parent is (6Z,9Z)-octadecadienoic acid. It is also related to or classified as phosphatidylcholine 36:3 .
The molecule <smiles>CC(O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl. Its functional parent is 3-hydroxybutyric acid. It is also related to or classified as O-hydroxybutyryl-L-carnitine . It is also related to or classified as hydroxy-fatty acyl-L-carnitine .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C\C\C=C\C\C=C\C\C=C\CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituents at positions 1 and 2 are specified as octadecanoyl (stearoyl) and (5E,8E,11E,14E)-eicosatetraenoyl respectively. It has the role of ceramide allergen. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an optically active form of O-2-methylbutyrylcarnitine having (R)-configuration. It is also related to or classified as methyl-branched fatty acyl-L-carnitine . It is also related to or classified as 2-methylbutyrylcarnitine .
The molecule <smiles>[NH3+][C@@H](CC[SeH])C([O-])=O</smiles> is an L-alpha-amino acid zwitterion obtained from L-selenohomocysteine by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3. It is also related to or classified as L-alpha-amino acid zwitterion .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=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 40:6 in which the acyl groups at positions  1 and 2 are octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has the role of mouse metabolite. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. Its functional parent is octadecanoic acid. It is also related to or classified as phosphatidylcholine 40:6 .
The molecule <smiles>CCCCCCCC\C=C/C\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/C\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z,9Z)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is (6Z,9Z)-octadecadienoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of linolenic acid with the hydroxy group of ethanol. It has the role of plant metabolite. It has the role of human metabolite. Its functional parent is alpha-linolenic acid. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>CC(C)CCCC(C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C</smiles> is an optically active form of 2,6-dimethylheptanoylcarnitine having (R)-configuration. It is also related to or classified as methyl-branched fatty acyl-L-carnitine . It is also related to or classified as 2,6-dimethylheptanoyl carnitine .
The molecule <smiles>CCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is pentadecanoic acid substituted by a hydroxy group at position 2. It has the role of fungal metabolite. Its functional parent is pentadecanoic acid. It is also related to or classified as 2-hydroxy fatty acid .
The molecule <smiles>CC(C)CCCC(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 multi-methyl-branched fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,6-dimethylheptanoyl-CoA; major species at pH 7.3.  It is also related to or classified as saturated fatty acyl-CoA(4-) . It is also related to or classified as medium-chain fatty acyl-CoA(4-) . It is also related to or classified as multi-methyl-branched fatty acyl-CoA(4-).
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9Z)-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of stearidonic acid with the hydroxy group of ethanol. Its functional parent is all-cis-octadeca-6,9,12,15-tetraenoic acid. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A  2-hydroxy fatty acid that is nonadecanoic acid substituted by a hydroxy group at position 2. Its functional parent is nonadecanoic acid. It is also related to or classified as 2-hydroxy fatty acid .
The molecule <smiles>CCCCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of myristic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (11Z)-icosenoic acid with the hydroxy group of ethanol. Its functional parent is (11Z)-icos-11-enoic acid. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A omega-hydroxy fatty acid that is  heptacosanoic acid substituted by a hydroxy group at position 27. Its functional parent is heptacosanoic acid. It is also related to or classified as omega-hydroxy fatty acid.
The molecule <smiles>CCCCCCCCCCC\C=C/CCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCC\C=C/CCCCCCCCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (6Z)-octadecenoyl respectively. It has the role of mouse metabolite. Its functional parent is petroselinic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is octacosanoic acid substituted by a hydroxy group at position 28. Its functional parent is octacosanoic acid. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid .
The molecule <smiles>CCCCCCCCCC\C=C/CCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (9Z)-icosenoic acid with the hydroxy group of ethanol. Its functional parent is gadoleic acid. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidic (icosanoic) acid with the hydroxy group of ethanol. Its functional parent is icosanoic acid. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is hentriacontanoic acid (a C31 acid) substituted by a hydroxy group at position 31. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid .
The molecule <smiles>CCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is tridecanoic acid substituted by  a hydroxy group at position 2. It has the role of fungal metabolite. Its functional parent is tridecanoic acid. It is also related to or classified as 2-hydroxy fatty acid .
The molecule <smiles>CCC(C)CCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is dodecanoic acid (lauric acid) substituted by a methyl group at position 10. Its functional parent is dodecanoic acid.  It is also related to or classified as medium-chain fatty acid . It is also related to or classified as branched-chain saturated fatty acid, methyl-branched fatty acid.
The molecule <smiles>CCCCCC\C=C/CCCCCCCCCCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of (13Z)-icosenoic acid with the hydroxy group of ethanol. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>CCC(C)CCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is octadecanoic acid substituted by a methyl group at position 16. It has the role of animal metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as branched-chain saturated fatty acid, methyl-branched fatty acid.
The molecule <smiles>CCC(C)CCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is hexadecanoic acid (palmitic acid) substituted by a methyl group at position 14. It has the role of mammalian metabolite. It has the role of plant metabolite. Its functional parent is hexadecanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as branched-chain saturated fatty acid, methyl-branched fatty acid.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A omega-hydroxy fatty acid that is nonacosanoic acid substituted by a hydroxy group at position 29. Its functional parent is nonacosanoic acid. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid .
The molecule <smiles>CCCCCCCCCCCCCCCCCCCC(O)C(O)=O</smiles> is A 2-hydroxy fatty acid that is henicosanoic acid substituted by a hydroxy group at position 2. Its functional parent is henicosanoic acid. It is also related to or classified as 2-hydroxy fatty acid .
The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O</smiles> is A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-D-mannose; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is tetracosanoic acid (lignoceric acid) substituted by a methyl group at position 22. Its functional parent is tetracosanoic acid. It is also related to or classified as very long-chain fatty acid . It is also related to or classified as branched-chain saturated fatty acid, methyl-branched fatty acid.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A very long-chain fatty acid comprising of 29 carbon atoms. It has the role of plant metabolite. It is also related to or classified as prostaglandin A1 . It is also related to or classified as straight-chain saturated fatty acid.
The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCC(O)=O</smiles> is A methyl-branched fatty acid that is  arachidic acid substituted by a methyl group at position 18. It has the role of mammalian metabolite. Its functional parent is icosanoic acid. It is also related to or classified as long-chain fatty acid . It is also related to or classified as branched-chain saturated fatty acid, methyl-branched fatty acid.
The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)C([O-])=O)[C@@H](O)[C@H]1O</smiles> is A GDP-D-mannuronate in which the anomeric centre of the mannuronate fragment has alpha-configuration. It is also related to or classified as GDP-D-mannuronate .
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC</smiles> is A long-chain fatty acid ethyl ester resulting from the formal condensation of the carboxy group of arachidonic acid with the hydroxy group of ethanol. It has the role of human xenobiotic metabolite. It has the role of human blood serum metabolite. Its functional parent is arachidonic acid. It is also related to or classified as long-chain fatty acid ethyl ester .
The molecule <smiles>N=O</smiles> is A nitrogen oxoacid consisting of an oxygen atom double-bonded to an NH group. It is also related to or classified as nitrogen oxoacid.
The molecule <smiles>OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is an omega-hydroxy fatty acid that is tritriacontanoic acid (C33) acid) substituted by a hydroxy group at position 33. It is also related to or classified as omega-hydroxy-ultra-long-chain fatty acid .
The molecule <smiles>CCC(C)CCCCCCCCCCCCCCCCCCCCCCC(O)=O</smiles> is A  methyl-branched fatty acid that is  cerotic acid substituted by a methyl group at position 24. Its functional parent is hexacosanoic acid. It is also related to or classified as very long-chain fatty acid . It is also related to or classified as branched-chain saturated fatty acid, methyl-branched fatty acid.