1.0 2010-04-08 22:05:02 UTC 2019-11-26 02:56:36 UTC FDB001606 Malonyl CoA A coenzyme A derivative which plays a key role in the fatty acid synthesis in the cytoplasmic and microsomal systems.; Malonyl-CoA is a coenzyme A derivative.; Malonyl-CoA is a highly-regulated molecule in fatty acid synthesis; as such, it inhibits the rate-limiting step in beta-oxidation of fatty acids. Malonyl CoA inhibits fatty acids from associating with carnitine, thereby preventing them from entering the mitochondria where fatty acid oxidation and degradation occur. Malonyl CoA is found in sorghum. (24AFH)-stigmasta-5,22t-dien-3b-ol (24X)-ethylcholesta-5,22-dien-3b-ol (24XH)-stigmasta-5,22t-dien-3b-ol 17-(4-Ethyl-1,5-dimethyl-hex-2-enyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol 24AFH-stigmasta-5,22t-dien-3b-ol 24X-24-ethylcholest-5,22-dien-3b-ol 5,22-Cholestadien-24-ethyl-3b-ol 5,22-Cholestadien-24-ethyl-3β-ol Coenzyme a, s-(hydrogen propanedioate) Malonyl coenzyme a Malonyl-coa Malonyl-coenzyme a Omega-carboxyacyl-coa Omega-carboxyacyl-coenzyme a rac-(24XH)-stigmasta-5,22t-dien-3b-ol S-(hydrogen malonyl)coenzyme a S-(hydrogen propanedioate S-(hydrogen propanedioate) coa S-(hydrogen propanedioate) coenzyme a S-(hydrogen propanedioic acid Stigmasta-5,22-dien-3b-ol Stigmasta-5,22-dien-3β-ol Stigmasta-5,22t-dien-3b-ol β-stigmasterol C24H38N7O19P3S 853.58 853.115602295 3-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-3-oxopropanoic acid 3-[(2-{[3-({4-[({[5-(6-aminopurin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]-1,2-dihydroxy-3,3-dimethylbutylidene}amino)-1-hydroxypropylidene]amino}ethyl)sulfanyl]-3-oxopropanoic acid 524-14-1 CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(O)=O InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41) LTYOQGRJFJAKNA-UHFFFAOYSA-N belongs to the class of organic compounds known as acyl coas. These are organic compounds containing a coenzyme A substructure linked to an acyl chain. Acyl CoAs Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds 6-aminopurines Amino acids Aminopyrimidines and derivatives Azacyclic compounds Beta amino acids and derivatives Carbothioic S-esters Carboxylic acids Coenzyme A and derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharide phosphates N-acyl amines N-substituted imidazoles Organic oxides Organic pyrophosphates Organopnictogen compounds Oxacyclic compounds Pentose phosphates Primary amines Purine ribonucleoside diphosphates Ribonucleoside 3'-phosphates Secondary alcohols Secondary carboxylic acid amides Sulfenyl compounds Tetrahydrofurans Thioesters 1,3-dicarbonyl compound 6-aminopurine Alcohol Alkyl phosphate Amine Amino acid Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Beta amino acid or derivatives Carbonyl group Carbothioic s-ester Carboxamide group Carboxylic acid Carboxylic acid derivative Coenzyme a or derivatives Fatty amide Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide Monosaccharide phosphate N-acyl-amine N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organic pyrophosphate Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Oxacycle Pentose monosaccharide Pentose phosphate Pentose-5-phosphate Phosphoric acid ester Primary amine Purine Purine ribonucleoside 3',5'-bisphosphate Purine ribonucleoside bisphosphate Purine ribonucleoside diphosphate Pyrimidine Ribonucleoside 3'-phosphate Secondary alcohol Secondary carboxylic acid amide Sulfenyl compound Tetrahydrofuran Thiocarboxylic acid ester Thiocarboxylic acid or derivatives Solid logp -0.50 ALOGPS logs -2.18 ALOGPS solubility 5.66e+00 g/l ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 0.82 ChemAxon pka_strongest_basic 4.29 ChemAxon iupac 3-({2-[(3-{[4-({[({[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,2-dihydroxy-3,3-dimethylbutylidene]amino}-1-hydroxypropylidene)amino]ethyl}sulfanyl)-3-oxopropanoic acid ChemAxon average_mass 853.58 ChemAxon mono_mass 853.115602295 ChemAxon smiles CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)C(O)C(O)=NCCC(O)=NCCSC(=O)CC(O)=O ChemAxon formula C24H38N7O19P3S ChemAxon inchi InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41) ChemAxon inchikey LTYOQGRJFJAKNA-UHFFFAOYSA-N ChemAxon polar_surface_area 407.91 ChemAxon refractivity 179.6 ChemAxon polarizability 73.8 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 21 ChemAxon donor_count 10 ChemAxon physiological_charge -5 ChemAxon formal_charge 0 ChemAxon HMDB01175 15531 #<Reference:0x000055ce315c77e0> #<Reference:0x000055ce315c7560> #<Reference:0x000055ce315c7358> #<Reference:0x000055ce315c7178> #<Reference:0x000055ce315c6f20> #<Reference:0x000055ce315c6d18> #<Reference:0x000055ce315c6b60> #<Reference:0x000055ce315c69a8> #<Reference:0x000055ce315c67f0> Sorghum Type 1 specific Sorghum bicolor 4558 Fatty acid synthase P49327 FASN Malonyl-CoA decarboxylase, mitochondrial O95822 MLYCD