anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CO[C@]12[C@H]3N[C@H]3CN1C1=C([C-]2COC(N)=O)C(=O)C(O)=C(C)C1=O CO[C@]12[C@H]3N[C@H]3CN1C1=C([C-]2COC(N)=O)C(=O)C(O)=C(C)C1=O is an organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin A. It is a conjugate acid of 7-demethylmitomycin A(2-) . It is also related to or classified as organic anion .
The molecule NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O NCCCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is carrying a 6-aminohexyl substituent. Its functional parent is 3',5'-cyclic AMP . It is also related to or classified as 3',5'-cyclic purine nucleotide , primary amino compound , secondary amino compound , adenyl ribonucleotide .
The molecule Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphate that is cAMP in which the nitrogen atom at position 7 on the purine fragment is replaced by a methine (C-H) group. Its functional parent is tubercidin . It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as ribonucleotide , N-glycosylpyrrolopyrimidine .
The molecule Nc1ncnc2n(nnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(nnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphate that is cAMP in which the methine (C-H) group at position 8 on the purine fragment is replaced by nitrogen. Its functional parent is 8-azaguanine . It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as triazolopyrimidines .
The molecule Nc1ncnc2n(ncc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(ncc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphate that is cAMP in which the aza methine (C-H) group at positions 7 and 8 on the purine fragment are transposed. It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as pyrazolopyrimidine .
The molecule Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Cl)cc12 Nc1ncnc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Cl)cc12 is A nucleoside 3',5'-cyclic phosphate that is 7-deaza-cAMP substituted at position 8 by a chloro group. Its functional parent is tubercidin . It is also related to or classified as nucleoside 3',5'-cyclic phosphate  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as ribonucleotide , N-glycosylpyrrolopyrimidine .
The molecule CO[C@]12[C@H]3N[C@H]3CN1C1=C([C-]2COC(N)=O)C(=O)C([O-])=C(C)C1=O CO[C@]12[C@H]3N[C@H]3CN1C1=C([C-]2COC(N)=O)C(=O)C([O-])=C(C)C1=O is A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as phenolate anion .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O is an all-trans-polyprenyl diphosphate(3-) arising from deprotonation of the diphosphate OH groups of all-trans-tridecaprenyl diphosphate; major species at pH 7.3. It is also related to or classified as all-trans-polyprenyl diphosphate(3-) .
The molecule NCCCCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O NCCCCCCSc1nc2c(N)ncnc2n1[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 6-aminohexylthio group. Its functional parent is 3',5'-cyclic AMP . It is also related to or classified as 3',5'-cyclic purine nucleotide , aryl sulfide , primary amino compound , adenyl ribonucleotide .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O is an all-trans-polyprenyl diphosphate composed from twelve isoprenyl units. It has the role of human metabolite . It is a conjugate acid of all-trans-dodecaprenyl diphosphate(3-) . It is also related to or classified as all-trans-polyprenyl diphosphate .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O is an all-trans-polyprenyl diphosphate(3-) arising from deprotonation of the diphosphate OH groups of all-trans-dodecaprenyl diphosphate; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as all-trans-polyprenyl diphosphate(3-) .
The molecule Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C Cl.CC(CN1c2ccccc2Sc2ccccc12)N(C)C is the hydrochloride salt of promethazine. It has the role of anticoronaviral agent . It has the role of geroprotector . It has the role of sedative . It has the role of local anaesthetic . It has the role of H1-receptor antagonist . It has the role of anti-allergic agent . It has the role of antiemetic . It has the role of antipruritic drug . It is also related to or classified as hydrochloride .
The molecule Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having 7-bromo-7-deazaadenine as the nucleobase (the Sp-stereoisomer). Its functional parent is tubercidin . It is also related to or classified as organobromine compound  . It is also related to or classified as N-glycosylpyrrolopyrimidine , nucleoside 3',5'-cyclic phosphorothioate .
The molecule CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O CCCC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is carrying a butyryl substituent. It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic AMP . It is also related to or classified as 3',5'-cyclic purine nucleotide , butanamides , adenyl ribonucleotide .
The molecule Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(ccc12)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having 7-deazaadenine as the nucleobase (the Rp-stereoisomer). Its functional parent is tubercidin . It is also related to or classified as N-glycosylpyrrolopyrimidine , nucleoside 3',5'-cyclic phosphorothioate .
The molecule Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)nc12 Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)nc12 is A nucleoside 3',5'-cyclic phosphorothioate having 8-bromoadenine as the nucleobase (the Sp-stereoisomer). It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic AMP .  It is also related to or classified as organobromine compound  . It is also related to or classified as purines , nucleoside 3',5'-cyclic phosphorothioate .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COP(O)(=O)OP(O)(O)=O is an all-trans-polyprenyl diphosphate composed from thirteen isoprenyl units. It is a conjugate acid of all-trans-tridecaprenyl diphosphate(3-) . It is also related to or classified as all-trans-polyprenyl diphosphate .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having adenine as the nucleobase (the Sp-stereoisomer). It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic AMP . It is also related to or classified as purines , nucleoside 3',5'-cyclic phosphorothioate .
The molecule Cn1c(N)nc2n(cnc2c1=O)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Cn1c(N)nc2n(cnc2c1=O)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A 3',5'-cyclic purine nucleotide having 1-methylguanine as the nucleobase. Its functional parent is 3',5'-cyclic GMP . It is also related to or classified as 3',5'-cyclic purine nucleotide .
The molecule O[C@H]1[C@@H](O[C@@H]2COP(O)(=O)O[C@@H]12)n1cnc2cncnc12 O[C@H]1[C@@H](O[C@@H]2COP(O)(=O)O[C@@H]12)n1cnc2cncnc12 is A nucleoside 3',5'-cyclic phosphate that is 3',5'-cyclic AMP in which the exocyclic amino group on the purine fragment is replaced by hydrogen.  It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as 3',5'-cyclic purine nucleotide .
The molecule CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O CN(C)c1ncnc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the exocylic amino hydrogens on the purine fragment are replaced by methyl groups.   It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as 3',5'-cyclic purine nucleotide , tertiary amino compound .
The molecule Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(cc(Br)c12)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having 7-bromo-7-deazaadenine as the nucleobase (the Rp-stereoisomer). Its functional parent is tubercidin . It is also related to or classified as organobromine compound  . It is also related to or classified as N-glycosylpyrrolopyrimidine , nucleoside 3',5'-cyclic phosphorothioate .
The molecule CN(C)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O CN(C)c1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A 3',5'-cyclic purine nucleotide having N(2),N(2)-dimethylguanosine as the nucleobase. Its functional parent is 3',5'-cyclic GMP . It is also related to or classified as 3',5'-cyclic purine nucleotide .
The molecule Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)cc12 Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)cc12 is A nucleoside 3',5'-cyclic phosphorothioate having 8-bromo-7-deazaadenine as the nucleobase (the Sp-stereoisomer). Its functional parent is tubercidin . It is also related to or classified as organobromine compound  . It is also related to or classified as N-glycosylpyrrolopyrimidine , nucleoside 3',5'-cyclic phosphorothioate .
The molecule N1C(=NC2=C(N=C(N2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)[O-])SC=5C=CC(=CC5)Cl)C1=O)N N1C(=NC2=C(N=C(N2[C@@H]3O[C@@H]4COP(O[C@H]4[C@H]3O)(=O)[O-])SC=5C=CC(=CC5)Cl)C1=O)N is an organophosphate oxoanion that is the conjugate base of 8-(4-chlorophenylthio)-cGMP, resulting from the deprotonation of the phosphate moiety; Major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1n1ccnc1[nH]c2=O O[C@@H]1[C@@H]2OP(O)(=O)OC[C@H]2O[C@H]1n1cnc2c1n1ccnc1[nH]c2=O is A nucleoside 3',5'-cyclic monophosphate analogue having imidazo[2,1-b]purin-4-one as the modified nucleobase. Its functional parent is 3',5'-cyclic GMP . It is also related to or classified as imidazopurine , nucleoside monophosphate analogue .
The molecule C[C@@H]1N2C(=O)CCC2(O)C(=O)O[Fe]2OC(=O)C[C@@](O)(CC(=O)OCCNC1=O)C(=O)O2 C[C@@H]1N2C(=O)CCC2(O)C(=O)O[Fe]2OC(=O)C[C@@](O)(CC(=O)OCCNC1=O)C(=O)O2 is an iron coordination entity comprising equimolar amounts of iron(3+) and vibrioferrin(3-). It is also related to or classified as iron coordination entity .
The molecule Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc2c(=O)[nH]1 Nc1nc2n([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c(Sc3ccc(Cl)cc3)nc2c(=O)[nH]1 is A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic GMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group. It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic GMP . It is a conjugate acid of 8-(4-chlorophenylthio)-cGMP(1-) .    It is also related to or classified as organochlorine compound  . It is also related to or classified as 3',5'-cyclic purine nucleotide , ribonucleotide , aryl sulfide .
The molecule Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@H]4[C@H]3O)c(Br)cc12 Nc1ncnc2n([C@@H]3O[C@@H]4CO[P@](S)(=O)O[C@H]4[C@H]3O)c(Br)cc12 is A nucleoside 3',5'-cyclic phosphorothioate having 8-bromo-7-deazaadenine as the nucleobase (the Rp-stereoisomer). Its functional parent is tubercidin . It is also related to or classified as organobromine compound  . It is also related to or classified as N-glycosylpyrrolopyrimidine , nucleoside 3',5'-cyclic phosphorothioate .
The molecule Nc1ncc2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c2n1 Nc1ncc2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@H]4[C@H]3O)c2n1 is A 3',5'-cyclic purine nucleotide having 2-aminopurine as the nucleobase. Its functional parent is 2-aminopurine .   It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as 3',5'-cyclic purine nucleotide , primary amino compound .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having guanine as the nucleobase (the Sp-stereoisomer). Its functional parent is 3',5'-cyclic GMP . It is also related to or classified as purines , nucleoside 3',5'-cyclic phosphorothioate .
The molecule Nc1nc2n(ccc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O Nc1nc2n(ccc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphate that is cGMP in which the nitrogen atom at position 7 on the purine fragment is replaced by a methine (C-H) group. Its functional parent is tubercidin . It is also related to or classified as nucleoside 3',5'-cyclic phosphate  . It is also related to or classified as ribonucleotide , N-glycosylpyrrolopyrimidine .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having guanine as the nucleobase (the Rp-stereoisomer). Its functional parent is 3',5'-cyclic GMP . It is also related to or classified as purines , nucleoside 3',5'-cyclic phosphorothioate .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@](S)(=O)O[C@H]2[C@H]1O is A nucleoside 3',5'-cyclic phosphorothioate having adenine as the nucleobase (the Rp-stereoisomer). It has the role of EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor . Its functional parent is 3',5'-cyclic AMP . It is also related to or classified as purines , nucleoside 3',5'-cyclic phosphorothioate .
The molecule Nc1ccc(c(N)c1)\N=N\c1ccc(cc1)S(N)(=O)=O Nc1ccc(c(N)c1)\N=N\c1ccc(cc1)S(N)(=O)=O is A diphenyldiazene compound having two amino substituents at the 2- and 4-positions and an aminosulphonyl substituent at the 4'-position. It was the first antibacterial drug, (introduced 1935) and the first of the sulfonamide antibiotics. It has the role of antimicrobial agent . It has the role of antibacterial drug . Its functional parent is sulfanilamide . It is also related to or classified as azobenzenes  . It is also related to or classified as sulfonamide  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group is specified as oleoyl. It has the role of human metabolite . It has the role of glycine transporter 2 inhibitor . Its functional parent is oleic acid . It is also related to or classified as monounsaturated fatty acyl-L-carnitine  .
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CC(CCC/C=C\CCCCCCCC)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CC(CCC/C=C\CCCCCCCC)=O)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A 3-oxo-fatty acyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (7Z)-3-oxohexadecenoyl-CoA; major species at pH 7.3. It is also related to or classified as hexadecenoyl-CoA(4-)  . It is also related to or classified as 3-oxo-fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group is specified as stearoyl (octadecanoyl). It has the role of human metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as saturated fatty acyl-L-carnitine  . It is also related to or classified as long-chain fatty acyl-L-carnitine  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group is specified as icosanoyl. It has the role of human metabolite . Its functional parent is icosanoic acid . It is also related to or classified as saturated fatty acyl-L-carnitine  . It is also related to or classified as long-chain fatty acyl-L-carnitine  .
The molecule CCCCCCCCCCCCCC(=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCCCCCCCC(=O)CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group is specified as 3-oxopalmitoyl. Its functional parent is 3-oxopalmitic acid . It is also related to or classified as oxo-fatty acyl-L-carnitine  .
The molecule Nc1nc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 Nc1nc2n([C@@H]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(Br)nc2c(=O)[nH]1 is A nucleoside 3',5'-cyclic phosphorothioate having 8-bromoguanine as the nucleobase (the Sp-stereoisomer). It has the role of protein kinase agonist . Its functional parent is 3',5'-cyclic GMP .  It is also related to or classified as organobromine compound  . It is also related to or classified as purines , nucleoside 3',5'-cyclic phosphorothioate .
The molecule CC(C)CCCC(C)CCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CC(C)CCCC(C)CCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-acyl-L-carnitine in which the acyl group is specified as 4,8-dimethylnonanoyl. Its functional parent is 4,8-dimethylnonanoic acid . It is also related to or classified as methyl-branched fatty acyl-L-carnitine  .
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A sialopentaosylceramide consisting of alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glucosyl unit attached to the Cer(d18:1/20:0). It has the role of mouse metabolite . Its functional parent is icosanoic acid . It is also related to or classified as sialopentaosylceramide .
The molecule CCCCCCCC\C=C/CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCCCCC\C=C/CCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-tetradecenoyl-L-carnitine  in which the acyl group is specified as (5Z)-tetradecenoyl. It has the role of human metabolite . Its functional parent is cis-tetradec-5-enoic acid . It is also related to or classified as O-tetradecenoyl-L-carnitine  .
The molecule CCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCC\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-tetradecenoyl-L-carnitine in which the acyl group is specified as myristoleoyl. Its functional parent is myristoleic acid . It is also related to or classified as O-tetradecenoyl-L-carnitine  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A sialopentaosylceramide consisting of a alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glucosyl unit attached to a Cer(d18:1/24:0). It has the role of mouse metabolite . Its functional parent is tetracosanoic acid . It is also related to or classified as sialopentaosylceramide .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A sialotriaosylceramide consisting of the hexasaccharide beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc attached to the primary hydroxy function of ceramide(d18:1/16:0). It has the role of mouse metabolite . Its functional parent is hexadecanoic acid . It is also related to or classified as sialotriaosylceramide .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A sialopentaosylceramide consisting of a alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glucosyl unit attached to a Cer(d18:1/22:0). It has the role of mouse metabolite . Its functional parent is docosanoic acid . It is also related to or classified as sialopentaosylceramide .