1.0 2016-09-30 23:06:45 UTC 2020-04-22 15:12:57 UTC BMDB0003938 BMDB03938 (S)-Hydroxydecanoyl-CoA (S)-Hydroxydecanoyl-CoA, also known as (s)-hydroxydecanoyl-coa) coa, belongs to the class of organic compounds known as 3-hydroxyacyl coas. These are organic compounds containing a 3-hydroxyl acylated coenzyme A derivative (S)-Hydroxydecanoyl-CoA is possibly soluble (in water) and a strong basic compound (based on its pKa) (S)-Hydroxydecanoyl-CoA exists in all living organisms, ranging from bacteria to humans. In cattle, (S)-hydroxydecanoyl-CoA is involved in the metabolic pathway called the mitochondrial Beta-oxidation OF medium chain saturated fatty acids pathway. (S)-3-Hydroxydecanoyl-CoA (S)-3-Hydroxydecanoyl-coenzyme A 3-Hydroxydecanoyl-CoA 3-Hydroxydecanoyl-coenzyme A 3S-Hydroxy-decanoyl-CoA 3S-Hydroxy-decanoyl-coenzyme A b-Hydroxydecanoyl coenzyme A beta-Hydroxydecanoyl coenzyme A DL-b-Hydroxydecanoyl coenzyme A DL-beta-Hydroxydecanoyl coenzyme A S-(3-Hydroxydecanoate S-(3-Hydroxydecanoate) CoA S-(3-Hydroxydecanoate) coenzyme A S-(3-Hydroxydecanoate)CoA S-(3-Hydroxydecanoate)coenzyme A S-(3-Hydroxydecanoic acid 3-Hydroxydecanoyl-coenzyme A, (R)-isomer C31H54N7O18P3S 937.783 937.245888185 {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid (S)-3-hydroxydecanoyl-coa 6245-70-1 CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24?,25-,26-,30+/m0/s1 HIVSMYZAMUNFKZ-WQUYVQPTSA-N belongs to the class of organic compounds known as (s)-3-hydroxyacyl coas. These are organic compounds containing a (S)-3-hydroxyl acylated coenzyme A derivative. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acyl thioesters (S)-3-hydroxyacyl CoAs 2,3,4-saturated fatty acyl CoAs 6-aminopurines Aminopyrimidines and derivatives Azacyclic compounds Beta amino acids and derivatives Carbonyl compounds Carbothioic S-esters Coenzyme A and derivatives Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidolactams Medium-chain fatty acyl CoAs Monoalkyl phosphates 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 6-aminopurine Alcohol Alkyl phosphate Amine Amino acid or derivatives Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Beta amino acid or derivatives Carbonyl group Carbothioic s-ester Carboxamide group Carboxylic acid derivative Coenzyme a or derivatives Fatty amide Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monoalkyl phosphate 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 Aromatic heteropolycyclic compounds hydroxy fatty acyl-CoA Solid logp -1.219 logp 0.31 ALOGPS logs -2.46 ALOGPS logp -4.4 ChemAxon pka_strongest_acidic 0.83 ChemAxon pka_strongest_basic 4.95 ChemAxon iupac {[(2R,3R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid ChemAxon average_mass 937.783 ChemAxon mono_mass 937.245888185 ChemAxon smiles CCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C(O)[C@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12 ChemAxon formula C31H54N7O18P3S ChemAxon inchi InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20+,24?,25-,26-,30+/m0/s1 ChemAxon inchikey HIVSMYZAMUNFKZ-WQUYVQPTSA-N ChemAxon polar_surface_area 383.86 ChemAxon refractivity 210.56 ChemAxon polarizability 87.9 ChemAxon rotatable_bond_count 28 ChemAxon acceptor_count 18 ChemAxon donor_count 10 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Fatty Acid Elongation in Mitochondria SMP0087194 Fatty Acid Metabolism SMP0087172 Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids SMP0087266 Specdb::EiMs 2205 Specdb::MsMs 28829 Specdb::MsMs 28830 Specdb::MsMs 28831 Specdb::MsMs 35387 Specdb::MsMs 35388 Specdb::MsMs 35389 Specdb::MsMs 2356260 Specdb::MsMs 2356261 Specdb::MsMs 2356262 Specdb::MsMs 2609384 Specdb::MsMs 2609385 Specdb::MsMs 2609386 Specdb::NmrOneD 149740 Specdb::NmrOneD 149741 Specdb::NmrOneD 149742 Specdb::NmrOneD 149743 Specdb::NmrOneD 149744 Specdb::NmrOneD 149745 Specdb::NmrOneD 149746 Specdb::NmrOneD 149747 Specdb::NmrOneD 149748 Specdb::NmrOneD 149749 Specdb::NmrOneD 149750 Specdb::NmrOneD 149751 Specdb::NmrOneD 149752 Specdb::NmrOneD 149753 Specdb::NmrOneD 149754 Specdb::NmrOneD 149755 Specdb::NmrOneD 149756 Specdb::NmrOneD 149757 Specdb::NmrOneD 149758 Specdb::NmrOneD 149759 17220838 16061159 FDB023257 C05264 28325 Qi, Q.; Steinbuchel, A.; Rehm, B. H. A. In vitro synthesis of poly(3-hydroxydecanoate): purification and enzymatic characterization of type II polyhydroxyalkanoate synthases PhaC1 and PhaC2 from Pseudomonas aeruginosa. Applied Microbiology and Biotechnology (2000), 54(1), 37-43.