1.0 2011-09-21 00:40:01 UTC 2015-07-21 06:58:00 UTC FDB024110 D-Pantothenoyl-L-cysteine D-Pantothenoyl-L-cysteine is involved in the pantothenate and CoA biosynthesis pathway. D-Pantothenoyl-L-cysteine can be converted into (R)-4'-Phosphopantothenoyl-L-cysteine or Pantetheine by type I pantothenate kinase [EC:2.7.1.33] or [4.1.1.30], respectively. [HMDB] N-((R)-Pantothenoyl)-L-cysteine 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. Hybrid peptides Organic compounds Organic acids and derivatives Peptidomimetics Hybrid peptides Aliphatic acyclic compounds 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 L-cysteine derivative Solid logp -0.70 ALOGPS logs -2.81 ALOGPS solubility 5.00e-01 g/l 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 Pantothenate and CoA Biosynthesis SMP00027 map00770 Specdb::CMs 21385 Specdb::CMs 39109 Specdb::CMs 131435 Specdb::CMs 139169 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 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 HMDB06834 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 Pantothenate kinase 1 Q8TE04 PANK1 Pantothenate kinase 3 Q9H999 PANK3 Pantothenate kinase 4 Q9NVE7 PANK4