1.0 2016-09-30 23:26:34 UTC 2020-05-21 16:26:58 UTC BMDB0006834 BMDB06834 D-Pantothenoyl-L-cysteine D-Pantothenoyl-L-cysteine belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. D-Pantothenoyl-L-cysteine is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-Pantothenoyl-L-cysteine exists in all living organisms, ranging from bacteria to humans. D-Pantothenoyl-L-cysteine can be converted into 4'-phosphopantothenoylcysteine; which is mediated by the enzyme pantothenate kinase 1. In cattle, D-pantothenoyl-L-cysteine is involved in the metabolic pathway called pantothenate and CoA biosynthesis pathway. N-((R)-Pantothenoyl)-L-cysteine N-Pantothenoylcysteine N-Pantothenoylcystein C12H22N2O6S 322.378 322.119857136 (2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid (2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1 QSYCTARXWYLMOF-CBAPKCEASA-N belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Hybrid peptides Alkylthiols Beta amino acids and derivatives Carbonyl compounds Carboxylic acids Cysteine and derivatives Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides N-acyl amines N-acyl-L-alpha-amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Alkylthiol Alpha-amino acid or derivatives Beta amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Carboxylic acid derivative Cysteine or derivatives Fatty acyl Fatty amide Hybrid peptide Hydrocarbon derivative Monocarboxylic acid or derivatives Monosaccharide N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid N-acyl-amine N-acyl-l-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Primary alcohol Secondary alcohol Secondary carboxylic acid amide Aliphatic acyclic compounds L-cysteine derivative Solid logp -0.70 ALOGPS logs -2.81 ALOGPS logp -1.8 ChemAxon pka_strongest_acidic 3.48 ChemAxon pka_strongest_basic -2 ChemAxon iupac (2R)-2-{3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanamido}-3-sulfanylpropanoic acid ChemAxon average_mass 322.378 ChemAxon mono_mass 322.119857136 ChemAxon smiles CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=O ChemAxon formula C12H22N2O6S ChemAxon inchi InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1 ChemAxon inchikey QSYCTARXWYLMOF-CBAPKCEASA-N ChemAxon polar_surface_area 135.96 ChemAxon refractivity 76.53 ChemAxon polarizability 32.2 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 6 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Pantothenate and CoA Biosynthesis SMP0087207 Specdb::CMs 21385 Specdb::CMs 39109 Specdb::CMs 131435 Specdb::CMs 139169 Specdb::MsMs 23912 Specdb::MsMs 23913 Specdb::MsMs 23914 Specdb::MsMs 30710 Specdb::MsMs 30711 Specdb::MsMs 30712 Specdb::MsMs 2353717 Specdb::MsMs 2353718 Specdb::MsMs 2353719 Specdb::MsMs 2584889 Specdb::MsMs 2584890 Specdb::MsMs 2584891 Specdb::NmrOneD 91852 Specdb::NmrOneD 91853 Specdb::NmrOneD 91854 Specdb::NmrOneD 91855 Specdb::NmrOneD 91856 Specdb::NmrOneD 91857 Specdb::NmrOneD 91858 Specdb::NmrOneD 91859 Specdb::NmrOneD 91860 Specdb::NmrOneD 91861 Specdb::NmrOneD 91862 Specdb::NmrOneD 91863 Specdb::NmrOneD 91864 Specdb::NmrOneD 91865 Specdb::NmrOneD 91866 Specdb::NmrOneD 91867 Specdb::NmrOneD 91868 Specdb::NmrOneD 91869 Specdb::NmrOneD 91870 Specdb::NmrOneD 91871 FDB024110 389202 440217 C04079 18416 BMDBP01212 Pantothenate kinase 3 Q08DA5 PANK3 Enzyme