1.02011-09-21 00:13:53 UTC2015-07-21 06:57:12 UTCFDB0224324-Phosphopantothenoylcysteine4-Phosphopantothenoylcysteine (PPC) is an intermediate in the biosynthetic machinery (pathway) that converts pantothenate (vitamin B5) into coenzyme A (CoA). The enzyme Phosphopantothenoylcysteine decarboxylase catalyzes the decarboxylation of PPC to 4'-phosphopantetheine. Coenzyme A is the principal acyl carrier and is required for many synthetic and degradative reactions in intermediary metabolism, and is an essential cofactor in all living systems. (PMID: 15450493, 16371361, 14501115) [HMDB](R)-4'-O-N-Pantothenoyl-L-cysteine(R)-4'-Opantothenoyl-L-cysteine(R)-4'-phospho-N-pantothenoyl-L-cysteine(R)-N-[N-[2-Hydroxy-3,3-dimethyl-1-oxo-4-(onooxy)butyl]-b-alanyl]-L-cysteine(R)-N-[N-[2-Hydroxy-3,3-dimethyl-1-oxo-4-(onooxy)butyl]-beta-alanyl]-L-cysteine(R)-N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-b-alanyl]-L-Cysteine(R)-N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-beta-alanyl]-L-Cysteine4-P-N-pantothenoylcysteine4'-O-N-Pantothenoylcysteine4'-Opantothenoyl-L-cysteine4'-Opantothenoylcysteine4'-P-N-pantothenoylcysteine4'-phospho-N-pantothenoylcysteine4'-Phosphopantothenoyl-L-cysteine4'-phosphopantothenoylcysteineN-((R)-4-Opantothenoyl)-L-cysteineN-((R)-4-phosphopantothenoyl)-L-cysteineN-((R)-4'-Opantothenoyl)-L-cysteineN-((R)-4'-phosphopantothenoyl)-L-cysteineN-[(R)-4'-Opantothenoyl]-L-cysteinePantothenoylcysteine 4'-atePantothenoylcysteine 4'-phosphateC12H23N2O9PS402.358402.086187546(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acid7196-09-0CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=OInChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1XQYALQVLCNHCFT-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 peptidesOrganic compoundsOrganic acids and derivativesPeptidomimeticsHybrid peptidesAliphatic acyclic compoundsAlkylthiolsBeta amino acids and derivativesCarbonyl compoundsCarboxylic acidsCysteine and derivativesHydrocarbon derivativesMonoalkyl phosphatesMonocarboxylic acids and derivativesMonosaccharidesN-acyl aminesN-acyl-L-alpha-amino acidsOrganic oxidesOrganonitrogen compoundsOrganopnictogen compoundsSecondary alcoholsSecondary carboxylic acid amidesAlcoholAliphatic acyclic compoundAlkyl phosphateAlkylthiolAlpha-amino acid or derivativesBeta amino acid or derivativesCarbonyl groupCarboxamide groupCarboxylic acidCarboxylic acid derivativeCysteine or derivativesFatty acylFatty amideHybrid peptideHydrocarbon derivativeMonoalkyl phosphateMonocarboxylic acid or derivativesMonosaccharideN-acyl-alpha amino acid or derivativesN-acyl-alpha-amino acidN-acyl-amineN-acyl-l-alpha-amino acidOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganic phosphoric acid derivativeOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfur compoundPhosphoric acid esterSecondary alcoholSecondary carboxylic acid amideL-cysteine derivativeSolidlogp-0.88logs-3.08solubility3.36e-01 g/llogp-2pka_strongest_acidic1.78pka_strongest_basic-3.8iupac(2R)-2-{3-[(2R)-2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido]propanamido}-3-sulfanylpropanoic acidaverage_mass402.358mono_mass402.086187546smilesCC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(O)=OformulaC12H23N2O9PSinchiInChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1inchikeyXQYALQVLCNHCFT-CBAPKCEASA-Npolar_surface_area182.49refractivity87.41polarizability36.25rotatable_bond_count11acceptor_count8donor_count7physiological_charge-3formal_charge0Pantothenate and CoA BiosynthesisSMP00027map00770Specdb::CMs3399Specdb::CMs37931Specdb::CMs157264Specdb::NmrOneD21242Specdb::NmrOneD21243Specdb::NmrOneD21244Specdb::NmrOneD21245Specdb::NmrOneD21246Specdb::NmrOneD21247Specdb::NmrOneD21248Specdb::NmrOneD21249Specdb::NmrOneD21250Specdb::NmrOneD21251Specdb::NmrOneD21252Specdb::NmrOneD21253Specdb::NmrOneD21254Specdb::NmrOneD21255Specdb::NmrOneD21256Specdb::NmrOneD21257Specdb::NmrOneD21258Specdb::NmrOneD21259Specdb::NmrOneD21260Specdb::NmrOneD21261Specdb::MsMs23054Specdb::MsMs23055Specdb::MsMs23056Specdb::MsMs29852Specdb::MsMs29853Specdb::MsMs29854Specdb::MsMs2842824Specdb::MsMs2842825Specdb::MsMs2842826Specdb::MsMs2866854Specdb::MsMs2866855Specdb::MsMs2866856HMDB0111715769#<Reference:0x0000555675592678>#<Reference:0x00005556755923f8>#<Reference:0x00005556755921f0>AnatidaeType 1specificAnatidae8830BeefaloType 1specificBos taurus X Bison bison297284BisonType 1specificBison bison9901BuffaloType 1specificBubalus bubalis89462Cattle (Beef, Veal)Type 1specificBos taurus9913ChickenType 1specificGallus gallus9031Columbidae (Dove, Pigeon)Type 1specificColumbidae8930DeerType 1specificCervidae9850Domestic goatType 1specificCapra aegagrus hircus9925Domestic pigType 1specificSus scrofa domestica9825ElkType 1specificCervus canadensis1574408EmuType 1specificDromaius novaehollandiae8790European rabbitType 1specificOryctolagus9984Greylag gooseType 1specificAnser anser8843Guinea henType 1specificNumida meleagris8996HorseType 1specificEquus caballus9796Mallard duckType 1specificAnas platyrhynchos8839Mountain hareType 1specificLepus timidus62621Mule deerType 1specificOdocoileus9871OstrichType 1specificStruthio camelus8801PheasantType 1specificPhasianus colchicus9054QuailType 1specificPhasianidae9005RabbitType 1specificLeporidae9979Rock ptarmiganType 1specificLagopus muta64668Sheep (Mutton, Lamb)Type 1specificOvis aries9940SquabType 1specificColumba8931TurkeyType 1specificMeleagris gallopavo9103Velvet duckType 1specificMelanitta fusca371864Wild boarType 1specificSus scrofa9823Pantothenate kinase 1Q8TE04PANK1Pantothenate kinase 3Q9H999PANK3Pantothenate kinase 4Q9NVE7PANK4Phosphopantothenate--cysteine ligaseQ9HAB8PPCS