anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(CCC(O)=O)C(/C=C/C=C\C/C=C\CCCCCCCC)O C(CCC(O)=O)C(/C=C/C=C\C/C=C\CCCCCCCC)O is A hydroxyeicosatrienoic acid that consists of 6E,8Z,11Z-eicosatrienoic acid bearing a 5-hydroxy substituent. It has the role of metabolite . Its functional parent is (5Z,8Z,11Z)-icosatrienoic acid . It is also related to or classified as HETrE .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCCCC is A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is also hexadecanoyl. It is a conjugate acid of 1,2-dihexadecanoyl-sn-glycerol-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCC is A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl group is also hexadecanoyl; major species at pH 7.3. It is also related to or classified as 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-)  .
The molecule CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O CCC1OC1C\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of 17,18-EETeTr, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate .  It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as EpETE(1-) , polyunsaturated fatty acid anion .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5Z,8Z,11Z,14Z-eicosatetraenoyl (arachidonoyl) respectively. It is a conjugate acid of 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(O)=O CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(O)=O is A 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as hexadecanoyl (palmitoyl). It is a conjugate acid of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCCCCCCCC is A 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as hexadecanoyl (palmitoyl). It is a conjugate acid of 1-hexadecanoyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate  . It is also related to or classified as tetradecanoate ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])([O-])=O CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])([O-])=O is A 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl group is specified as hexadecanoyl (palmitoyl); major species at pH 7.3. It is also related to or classified as 1-acyl-2-octadecanoyl-sn-glycero-3-phosphate(2-)  .
The molecule CCCCCCCC\C=C/C\C=C/C\C=C/CCCC([O-])=O CCCCCCCC\C=C/C\C=C/C\C=C/CCCC([O-])=O is A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as polyunsaturated fatty acid anion .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC is A 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl group is specified as hexadecanoyl (palmitoyl); major species at pH 7.3. It is also related to or classified as 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5Z,8Z,11Z,14Z-eicosatetraenoyl (arachidonoyl) respectively; major species at pH 7.3. It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate(2-)  .
The molecule CCCCCC(O)\C=C\C=C/C\C=C/C=C/C(O)CCCC(O)=O CCCCCC(O)\C=C\C=C/C\C=C/C=C/C(O)CCCC(O)=O is A DiHETE that consists of 6E,8Z,11Z,13E-icosatetraenoic acid having the two hydroxy groups located at positions 5 and 15. It has the role of metabolite . Its functional parent is 5-HETE . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively. It is a conjugate acid of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1,2-diacyl-sn-glycerol 3-phosphate  .
The molecule O[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 O[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O1 is an organophosphate oxoanion obtained by deprotonation of all four triphosphate OH groups of 2-deoxyribose 5-triphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is an organic cation obtained by protonation of the primary amino groups of kanamycin D. It is a conjugate acid of kanamycin D . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is an organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin X. It is a conjugate acid of 3''-deamino-3''-hydroxykanamycin X . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[NH3+] [NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[NH3+] is an organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin C. It is a conjugate acid of 3''-deamino-3''-hydroxykanamycin C . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule Nc1nc2NCC(CNc3ccc(cc3)[C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)=Nc2c(=O)[nH]1 Nc1nc2NCC(CNc3ccc(cc3)[C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)=Nc2c(=O)[nH]1 is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]([NH3+])[C@@H](O)[C@@H]1O is an organic cation obtained by protonation of the primary amino groups of 3''-deamino-3''-hydroxykanamycin B. It is a conjugate acid of 3''-deamino-3''-hydroxykanamycin B . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl). It has the role of mouse metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as N-stearoyl-sphingoid base  . It is also related to or classified as N-acylsphingosine  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCC is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as decanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule [H][C@@]12CCCN1C(=O)[C@H](Cc1c([nH]c3ccccc13)C(C)(C)C=C)NC2=O [H][C@@]12CCCN1C(=O)[C@H](Cc1c([nH]c3ccccc13)C(C)(C)C=C)NC2=O is A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a 1,1-dimethylallyl group. Its functional parent is brevianamide F .   It is also related to or classified as dipeptide  . It is also related to or classified as indoles , indole alkaloid , pyrrolopyrazine .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as hexadecanoyl (palmitoyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as tetracosanoyl. It has the role of mouse metabolite . Its functional parent is tetracosanoic acid . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-acylsphingosine  . It is also related to or classified as Cer(d42:1)  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC is A N-acylsphingosine 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-acylsphingosine  .
The molecule CCCCCCCCCCC1=CC(=O)C(C)=C(C)C1=O CCCCCCCCCCC1=CC(=O)C(C)=C(C)C1=O is A member of the class of 1,4-benzoquinones in which the quinone ring is substituted at positions 2 and 3 by methyl groups and at position 5 by a decyl group. It has the role of cofactor . It is also related to or classified as 1,4-benzoquinones  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as tetradecanoyl (myristoyl). Its functional parent is tetradecanoic acid . It is also related to or classified as N-acylsphingosine  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as eicosanoyl. It has the role of mouse metabolite . Its functional parent is icosanoic acid . It is also related to or classified as Cer(d38:1)  . It is also related to or classified as N-acylsphingosine  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as decanoyl. Its functional parent is decanoic acid . It is also related to or classified as N-acylsphingosine  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as hexacosanoyl. It has the role of mouse metabolite . Its functional parent is hexacosanoic acid . It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-acylsphingosine  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine in which the ceramide N-acyl group is specified as docosanoyl. It has the role of mouse metabolite . Its functional parent is docosanoic acid . It is also related to or classified as Cer(d40:1)  . It is also related to or classified as N-acylsphingosine  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCCCCCC is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as tetradecanoyl (myristoyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as octadecanoyl (stearoyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule [O-]C(=O)CCc1c[nH]cn1 [O-]C(=O)CCc1c[nH]cn1 is an imidazolyl carboxylic acid anion that is the conjugate base of dihydrourocanic acid, obtained by deprotonation of the carboxy group. Its functional parent is propionate . It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)=O CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(O)=O is A tetrapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine and D-proline residues coupled in sequence. It is also related to or classified as tetrapeptide  .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as docosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A ceramide 1-phosphate(2-) in which the N-acyl group is specified as tetracosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A ceramide 1-phosphate(2-) in which the N-acyl group is specified as hexacosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])([O-])=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A ceramide 1-phosphate(2-) in which the N-acyl group is specified as eicosanoyl. It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O is A kanamycin that is kanamycin B in which the 3''-amino group has been replaced by a hydroxy group. Its functional parent is kanamycin B . It is also related to or classified as kanamycins .
The molecule [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC is A phosphatidylcholine 34:0 in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively. It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 34:0  .
The molecule CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O is A tetrapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine and D-prolinamide residues coupled in sequence. It is also related to or classified as tetrapeptide  .
The molecule N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A kanamycin that is kanamycin X in which the 3''-amino group has been replaced by a hydroxy group. Its functional parent is kanamycin X . It is also related to or classified as kanamycins .
The molecule [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC is A phosphatidylethanolamine 34:2 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 34:2 zwitterion  . It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule [C@@H](COC(=O)CCCCCCCCCCCCCCC)(COP(OCC[NH3+])(=O)[O-])O [C@@H](COC(=O)CCCCCCCCCCCCCCC)(COP(OCC[NH3+])(=O)[O-])O is A lysophosphatidylethanolamine zwitterion 16:0 obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 16:0  .
The molecule C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCC C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(=O)CCCCCCCCCCCCCCC is A phosphatidylethanolamine 36:4 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 36:4 zwitterion  .
The molecule CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C CC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-acylcarnitine having 3-hydroxybutyryl as the acyl substituent. It has the role of metabolite . Its functional parent is carnitine .  It is also related to or classified as carboxylic ester  . It is also related to or classified as O-acylcarnitine , ammonium betaine .
The molecule [C@](COC(=O)CCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCC)([H])COP(OCC[NH3+])(=O)[O-] [C@](COC(=O)CCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCC)([H])COP(OCC[NH3+])(=O)[O-] is A phosphatidylethanolamine 32:0 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 32:0  .
The molecule CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(O)=O CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(O)=O is A pentapeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and beta-alanine residues coupled in sequence. It is also related to or classified as pentapeptide .
The molecule CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O is A tetrapeptide comprising N(2)-acetyl-D-phenylalanine, beta-alanine, L-histidine and D-prolinamide residues coupled in sequence. It is also related to or classified as tetrapeptide  .
The molecule CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C CC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-acylcarnitine having isobutyryl as the acyl substituent. It has the role of human metabolite . Its functional parent is isobutyric acid . It is also related to or classified as C4-acylcarnitine  .
The molecule C\C=C(/C)C(=O)NCC(O)=O C\C=C(/C)C(=O)NCC(O)=O is an N-acylglycine that is glycine with an amine hydrogen substituted by a 2-methylbut-2-enoyl (tiglyl) group. It has the role of metabolite . Its functional parent is glycine . It is also related to or classified as N-acylglycine  .
The molecule CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCC(O)=O CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCCC(O)=O is an oligopeptide comprising N(2)-acetyl-L-glutamine, D-phenylalanine, L-histidine, D-proline and two beta-alanine residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC is A phosphatidylethanolamine 34:1 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 34:0 zwitterion  .
The molecule [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC [H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCC\C=C/CCCCCCCC is A phosphatidylethanolamine 34:1 zwitterion obtained by transfer of a proton from the phosphate to the amino group of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine. It is also related to or classified as phosphatidylethanolamine 34:1 zwitterion  .
The molecule CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(O)=O is A dipeptide that is the N-(N(alpha)-acetyl-D-histidyl) derivative of L-proline. It is also related to or classified as dipeptide  .
The molecule [H]C(=O)c1ccccn1 [H]C(=O)c1ccccn1 is A pyridinecarbaldehyde that is pyridine in which the hydrogen at position 2 is replaced by a formyl group. It is also related to or classified as pyridinecarbaldehyde .
The molecule CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C CCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C is A C5-acylcarnitine having 2-methylbutyryl as the acyl substituent. It has the role of human metabolite . Its functional parent is 2-methylbutyric acid . It is also related to or classified as C5-acylcarnitine  .