anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC(O)=O CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC(O)=O is A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and succinyl respectively. Its functional parent is succinic acid . It is a conjugate acid of 1-hexadecyl-2-succinyl-sn-glycero-3-phosphocholine(1-) .  It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as hemisuccinate .
The molecule N[C@@H](CCC(=O)Nc1ccccc1)C(O)=O N[C@@H](CCC(=O)Nc1ccccc1)C(O)=O is an L-glutamine derivative obtained by the formal condensation of the side-chain carboxy group of L-glutamic acid with the amino group of aniline. It is also related to or classified as anilide  . It is also related to or classified as L-glutamine derivative .
The molecule COc1cc(C)c2ccc(O)c(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)c2c1 COc1cc(C)c2ccc(O)c(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(O)=O)n3cnc4c(N)ncnc34)c2c1 is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid. Its functional parent is 2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid . It is a conjugate acid of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule OC(=O)c1cccc2Nc3ccccc3Nc12 OC(=O)c1cccc2Nc3ccccc3Nc12 is A member of the class of phenazines that is 5,10-dihydrophenazine substituted at position 1 by a carboxy group. It has the role of bacterial metabolite . It is a conjugate acid of 5,10-dihydrophenazine-1-carboxylate . It is also related to or classified as aromatic carboxylic acid , phenazines .
The molecule CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCC\C=C/OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A 1-alkyl-2-acyl-sn-glycero-3-phosphserine in which the alkyl and acyl groups are specified as (1Z)-octadecenyl and arachidonoyl respectively. Its functional parent is arachidonic acid . It is a conjugate acid of 1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as 1-alkyl-2-acyl-sn-glycero-3-phosphoserine  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC(O)=O CCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC(O)=O is A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and glutaryl respectively. Its functional parent is glutaric acid . It is a conjugate acid of 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1-) . It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=O)OC(C)=O CCCCCCCCCCCCCCCCOC[C@H](COP(O)(O)=O)OC(C)=O 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 hexadecyl and acetyl respectively. Its functional parent is acetic acid . It is a conjugate acid of 1-palmityl-2-acetyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-alkyl-2-acyl-sn-glycerol 3-phosphate  .
The molecule CCCCCCCC\C=C/CCCCCCCCOC[C@@H](O)COP(O)(O)=O CCCCCCCC\C=C/CCCCCCCCOC[C@@H](O)COP(O)(O)=O is A 1-alkyl-sn-glycerol 3-phosphate in which the alkyl group is specified as oleyl. Its functional parent is (9Z)-octadecen-1-ol . It is a conjugate acid of 1-oleyl-sn-glycero-3-phosphate(2-) . It is also related to or classified as 1-alkyl-sn-glycerol 3-phosphate  .
The molecule C[C@H](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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](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)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C is A cholestenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of Delta(4)-dafachronic acid. Its functional parent is Delta(4)-dafachronic acid . It is a conjugate acid of Delta(4)-dafachronoyl-CoA(4-) . It is also related to or classified as steroidal acyl-CoA .
The molecule OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1OP(O)(O)=O is A ribose bisphosphate that consists of D-ribose having two monophosphate groups at the 2- and 5-positions. Its functional parent is D-ribose . It is a conjugate acid of D-ribofuranose-2,5-bisphosphate(4-) . It is also related to or classified as ribose bisphosphate .
The molecule CCCCCCCCCCCCCCCCOC[C@@H](O)COP(O)(=O)OCCN CCCCCCCCCCCCCCCCOC[C@@H](O)COP(O)(=O)OCCN is A 1-alkyl-sn-glycero-3-phosphoethanolamine in which the alkyl group at C-1 is specified as hexadecyl. It is also related to or classified as 1-alkyl-sn-glycero-3-phosphoethanolamine  .
The molecule 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]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC 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]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC is an anthracycline that is aklavinone having a 2-deoxy-L-fucosyl-(1->4)-2-deoxy-L-fucosyl-(1->4)-L-rhodosaminyl moiety attached at position 4. It has the role of metabolite . Its functional parent is aklavinone . It is also related to or classified as methyl ester  .  It is also related to or classified as phenols  .  It is also related to or classified as anthracycline  .  It is also related to or classified as polyketide  . It is also related to or classified as p-quinones , aminoglycoside , trisaccharide derivative .
The molecule C[C@H]([NH3+])CO C[C@H]([NH3+])CO is an ammonium ion resulting from the protonation of the amino group of (S)-2-aminopropan-1-ol. The major species at pH 7.3 according to Marvin ver. 6.2.0. It is a conjugate acid of (S)-2-aminopropan-1-ol . It is also related to or classified as 2-aminopropan-1-ol(1+)  . It is also related to or classified as primary ammonium ion  .
The molecule C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1 C[C@H](CSC(=O)c1ccccc1)C(=O)N1C[C@H](C[C@H]1C([O-])=O)Sc1ccccc1 is A monocarboxylic acid anion that is the conjugate base of zofenopril, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule [O-]C(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 [O-]C(=O)c1ccc2nc(oc2c1)-c1cc(Cl)cc(Cl)c1 is A monocarboxylic acid anion that is the conjugate base of tafamidis, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule COC1=C(C)C(=O)c2c(O)c(c(O)cc2C1=O)C(C)(CCC=C(C)C)C=C COC1=C(C)C(=O)c2c(O)c(c(O)cc2C1=O)C(C)(CCC=C(C)C)C=C is A hydroxy-1,4-naphthoquinone that is 2-O-methylflaviolin in which the hydrogens at positions 3 and 6 are replaced by methyl and linalyl groups respectively. It has the role of bacterial metabolite . Its functional parent is flaviolin . It is a conjugate acid of 6-linalyl-2-O,3-dimethylflaviolin-7-olate .  It is also related to or classified as phenols  . It is also related to or classified as enol ether  . It is also related to or classified as hydroxy-1,4-naphthoquinone , olefinic compound .
The molecule COC1=C(C)C(=O)c2c(O)cc(O)cc2C1=O COC1=C(C)C(=O)c2c(O)cc(O)cc2C1=O is A member of the class of naphthoquinones that is 2-O-methylflaviolin in which the hydrogen at position 3 is  replaced by a methyl group. It has the role of bacterial metabolite . Its functional parent is flaviolin . It is a conjugate acid of 2-O,3-dimethylflaviolin-7-olate .  It is also related to or classified as phenols  . It is also related to or classified as enol ether  . It is also related to or classified as hydroxy-1,4-naphthoquinone .
The molecule C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O is A trihydroxyflavone that is vitexin having a beta-L-rhamnosyl residue attached at the 2''-position of the glucitol moiety. It has the role of plant metabolite . Its functional parent is vitexin . It is a conjugate acid of vitexin 2''-O-beta-L-rhamnoside(1-) . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCCN)OC(C)=O CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OCCN)OC(C)=O is A 2-acyl-1-alkyl-sn-glycero-3-phosphoethanolamine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and acetyl respectively. Its functional parent is acetic acid . It is also related to or classified as 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine  .
The molecule COc1cc(C(O)=O)c2cccc(C)c2c1 COc1cc(C(O)=O)c2cccc(C)c2c1 is A naphthoic acid that is 1-naphthoic acid carrying additional methoxy and methyl substituents at positions 3 and 5 respectively. It has the role of bacterial metabolite . It is a conjugate acid of 3-methoxy-5-methyl-1-naphthoate . It is also related to or classified as naphthoic acid , aromatic ether .
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCCN)NC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP(O)(=O)OCCN)NC(=O)CCCCCCCCCCCCCCC is an N-acylsphinganine-1-phosphoethanolamine in which the N-acyl group is specified as hexadecanoyl. Its functional parent is hexadecanoic acid . It is also related to or classified as N-acylsphinganine-1-phosphoethanolamine  .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCN)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCN)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is an N-acylphytosphingosine-1-phosphoethanolamine in which the N-acyl group is specified as hexadecanoyl. Its functional parent is hexadecanoic acid . Its functional parent is phytosphingosine . It is also related to or classified as N-acylphytosphingosine-1-phosphoethanolamine  .
The molecule C[C@@H](O)CCCCCCCCCC(O)=O C[C@@H](O)CCCCCCCCCC(O)=O is an 11-hydroxylauric acid that has R configuration. It is a conjugate acid of (R)-11-hydroxylaurate(1-) . It is also related to or classified as 11-hydroxylauric acid  .
The molecule OCCCCCCC\C=C\C(O)=O OCCCCCCC\C=C\C(O)=O is an omega-hydroxy amino acid that is 2-decenoic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group and in which the C=C double bond has E configuration. It is a component of royal jelly. It has the role of geroprotector . It has the role of animal metabolite .  It is also related to or classified as omega-hydroxy-medium-chain fatty acid  . It is also related to or classified as hydroxy monounsaturated fatty acid , straight-chain fatty acid , alpha,beta-unsaturated monocarboxylic acid .
The molecule COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O is A dihydroxyflavone that is vitexin having a beta-L-rhamnosyl residue attached at the 2''-position of the glucitol moiety and a methyl group attached at the O-7 position of the chromene. It has the role of plant metabolite . Its functional parent is vitexin . It is a conjugate acid of 7-O-methylvitexin 2''-O-beta-L-rhamnoside(1-) .  It is also related to or classified as monomethoxyflavone  . It is also related to or classified as C-glycosyl compound , dihydroxyflavone , disaccharide derivative .
The molecule C[C@H](O)[C@H](O)C[C@@H](O)C=O C[C@H](O)[C@H](O)C[C@@H](O)C=O is an aldehyde that is the acyclic form of ascarylose. It is also related to or classified as aldehyde  . It is also related to or classified as ascarylose .
The molecule C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3=O C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1CC3=O is A monohydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by beta-hydroxy and oxo groups at positions 3 and 7 respectively. It is a conjugate acid of 3beta-hydroxy-7-oxo-5beta-cholan-24-oate . It is also related to or classified as oxo-5beta-cholanic acid , monohydroxy-5beta-cholanic acid .
The molecule CC\C=C/C\C=C/C\C=C/CCCC\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 CC\C=C/C\C=C/C\C=C/CCCC\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 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,11Z,14Z,17Z)-icosatetraenoic acid. It is a conjugate acid of (5Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule CC(C)(OO)c1ccccc1 CC(C)(OO)c1ccccc1 is A peroxol that is cumene in which the alpha-hydrogen is replaced by a hydroperoxy group. It has the role of Mycoplasma genitalium metabolite . It has the role of oxidising agent . It has the role of environmental contaminant . It is also related to or classified as peroxol  .
The molecule CCCCCCCC\C=C/C\C=C/CCCCCCC(=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 CCCCCCCC\C=C/C\C=C/CCCCCCC(=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 is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (8Z,11Z)-eicosadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated 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 (11Z)-Delta(11)-fatty acyl-CoA(4-)  .
The molecule CCCCCCCC\C=C/C\C=C/CCCCCCC(=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 CCCCCCCC\C=C/C\C=C/CCCCCCC(=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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (8Z,11Z)-icosadienoic acid. It is a conjugate acid of (8Z,11Z)-icosadienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule [Na+].[Na+].[O-][Cr]([O-])(=O)=O [Na+].[Na+].[O-][Cr]([O-])(=O)=O is an inorganic sodium salt consisting of sodium and chromate ions in a 2:1 ratio. It has the role of diagnostic agent . It has the role of carcinogenic agent . It has the role of oxidising agent . It has the role of poison . It is also related to or classified as inorganic sodium salt .
The molecule CCCCC\C=C/C\C=C/CCCC\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 CCCCC\C=C/C\C=C/CCCC\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 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,11Z,14Z)-icosatrienoic acid. It is a conjugate acid of (5Z,11Z,14Z)-icosatrienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule O=C1C=C(Nc2ccccc2)C(=O)c2cccnc12 O=C1C=C(Nc2ccccc2)C(=O)c2cccnc12 is A quinolone that is quinoline-5,8-dione in which the hydrogen at position 6 is replaced by an anilino group. It has the role of antineoplastic agent . It has the role of EC 4.6.1.2 (guanylate cyclase) inhibitor .   It is also related to or classified as aminoquinoline  . It is also related to or classified as quinolone , p-quinones , aromatic amine .
The molecule Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(Br)c2)cc1 Oc1ccc(\C=C\c2ccc(\C=C\c3ccc(O)cc3)c(Br)c2)cc1 is an organobromine compound that is bromobenzene in which the hydrogens at positions 2 and 5 are replaced by 4-hydroxystyryl groups. It has the role of fluorescent dye .  It is also related to or classified as organobromine compound  . It is also related to or classified as polyphenol .
The molecule CCCC\C=C/C\C=C/CCCCCCCC(=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 CCCC\C=C/C\C=C/CCCCCCCC(=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 is A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z)-heptadecadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule CC\C=C/C\C=C/CCCCCCCC(=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 CC\C=C/C\C=C/CCCCCCCC(=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 is A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z)-pentadecadienoyl; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule CCCCc1ccc(Cc2nccc3ccccc23)cc1 CCCCc1ccc(Cc2nccc3ccccc23)cc1 is A member of the class of isoquinolines that is 1-benzylisoquinoline carrying an additional butyl substituent at position 4 on the phenyl ring. It is also related to or classified as isoquinolines .
The molecule CC\C=C/C\C=C/CCCCCCCC(=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 CC\C=C/C\C=C/CCCCCCCC(=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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-pentadecadienoic acid. It is a conjugate acid of (9Z,12Z)-pentadecadienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 C\C=C/C\C=C/CCCCCCCC(=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 is A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z)-tetradecadienoyl-CoA; major species at pH 7.3. It is also related to or classified as polyunsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule Nc1nc(NO)c2nc[nH]c2n1 Nc1nc(NO)c2nc[nH]c2n1 is A 2,6-diaminopurine that is the N(6)-hydroxy derivative of 2,6-diamino-3H-purine. It has the role of mutagen . It has the role of teratogenic agent . Its functional parent is adenine . It is also related to or classified as hydroxylamines , 2,6-diaminopurines , nucleobase analogue .
The molecule C[C@@]1([C@@H]2CC[C@@H](O2)[C@@]1(C)C(O)=O)C(O)=O C[C@@]1([C@@H]2CC[C@@H](O2)[C@@]1(C)C(O)=O)C(O)=O is A monoterpenoid with an epoxy-bridged bicyclic dicarboxylic acid structure, which acts as an inhibitor of protein phosphatases 1 and 2A. It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor . It has the role of hepatotoxic agent . It has the role of apoptosis inducer . Its functional parent is cantharidin . It is also related to or classified as monoterpenoid , dicarboxylic acid , bridged compound , oxabicycloalkane .
The molecule [O-][Cl](=O)(=O)=O.CCOC(=O)c1ccccc1-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C [O-][Cl](=O)(=O)=O.CCOC(=O)c1ccccc1-c1c2ccc(cc2oc2cc(ccc12)=[N+](C)C)N(C)C is an organic perchlorate salt that has tetramethylrhodamine ethyl ester(1+) as the cation. It is used as a cell-permeant, cationic, red-orange fluorescent dye that is readily sequestered by active mitochondria. It has the role of reagent . It has the role of fluorochrome . It is also related to or classified as xanthene dye , organic perchlorate salt .
The molecule C\C=C/C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12 C\C=C/C\C=C/CCCCCCCC(=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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-tetradecadienoic acid. It is a conjugate acid of (9Z,12Z)-tetradecadienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule CCCCCCCC\C=C/C\C=C/CCCCCCC(O)=O CCCCCCCC\C=C/C\C=C/CCCCCCC(O)=O is an icosadienoic acid in which the two double bonds have Z-geochemistry and are located at positions 8 and 11. It is a conjugate acid of (8Z,11Z)-icosadienoate(1-) . It is also related to or classified as icosadienoic acid .
The molecule CCCC\C=C/C\C=C/CCCCCCCC(=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 CCCC\C=C/C\C=C/CCCCCCCC(=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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-heptadecadienoic acid. It is a conjugate acid of (9Z,12Z)-heptadecadienoyl-CoA(4-) . It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as unsaturated fatty acyl-CoA .
The molecule CCCCCCCC\C=C/C\C=C/CCCCC(O)=O CCCCCCCC\C=C/C\C=C/CCCCC(O)=O is an octadecadienoic acid in which the two double bonds have Z-geochemistry and are located at positions 6 and 9. It is a conjugate acid of (6Z,9Z)-octadecadienoate . It is also related to or classified as octadecadienoic acid .
The molecule c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1 c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1 is A member of the class of imidazoles carrying an alpha-(biphenyl-4-yl)benzyl substituent at position 1. It is also related to or classified as biphenyls , imidazoles .
The molecule Cc1nc(C)c(C)s1 Cc1nc(C)c(C)s1 is A 1,3-thiazole that is thiazole in which all three hydrogens are replaced by methyl groups. A Maillard reaction product, it is a flavour component in many cooked foods, including cooked meats and potatoes. It has the role of Maillard reaction product . It is also related to or classified as 1,3-thiazoles .