1.0 2016-09-30 22:39:57 UTC 2020-04-22 15:06:20 UTC BMDB0001016 BMDB01016 D-4'-Phosphopantothenate D-4'-Phosphopantothenate belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. D-4'-Phosphopantothenate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-4'-Phosphopantothenate exists in all living species, ranging from bacteria to humans. D-4'-Phosphopantothenate participates in a number of enzymatic reactions, within cattle. In particular, D-4'-Phosphopantothenate can be biosynthesized from pantothenic acid; which is mediated by the enzyme pantothenate kinase 1. In addition, Cytidine triphosphate, D-D-d-4'-phosphopantothenate, and L-cysteine can be converted into cytidine monophosphate and 4'-phosphopantothenoylcysteine; which is mediated by the enzyme phosphopantothenate--cysteine ligase. In cattle, D-D-d-4'-phosphopantothenate is involved in the metabolic pathway called pantothenate and CoA biosynthesis pathway. D-4'-Phosphopantothenic acid 4'-Phosphopantothenate Phosphopantothenic acid Phosphopantothenic acid, calcium salt (2:1) Phosphopantothenic acid, calcium salt, (R)-isomer (R)-4'-Phosphopantothenate 4'-P-Pantothenate C9H18NO8P 299.2149 299.077003069 3-{2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido}propanoic acid 3-{2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido}propanoic acid CC(C)(COP(O)(O)=O)C(O)C(O)=NCCC(O)=O InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17) XHFVGHPGDLDEQO-UHFFFAOYSA-N belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Beta amino acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monoalkyl phosphates Monocarboxylic acids and derivatives Monosaccharides N-acyl amines Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary alcohols Secondary carboxylic acid amides Alcohol Aliphatic acyclic compound Alkyl phosphate Beta amino acid or derivatives Carbonyl group Carboxamide group Carboxylic acid Fatty acyl Fatty amide Hydrocarbon derivative Monoalkyl phosphate Monocarboxylic acid or derivatives Monosaccharide N-acyl-amine Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Phosphoric acid ester Secondary alcohol Secondary carboxylic acid amide Aliphatic acyclic compounds Solid logp -2.14 ALOGPS logs -1.55 ALOGPS logp -1.5 ChemAxon pka_strongest_acidic 1.79 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 3-{2-hydroxy-3-methyl-3-[(phosphonooxy)methyl]butanamido}propanoic acid ChemAxon average_mass 299.2149 ChemAxon mono_mass 299.077003069 ChemAxon smiles CC(C)(COP(O)(O)=O)C(O)C(O)=NCCC(O)=O ChemAxon formula C9H18NO8P ChemAxon inchi InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17) ChemAxon inchikey XHFVGHPGDLDEQO-UHFFFAOYSA-N ChemAxon polar_surface_area 153.39 ChemAxon refractivity 62.38 ChemAxon polarizability 26.6 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -3 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 3456 Specdb::CMs 37893 Specdb::MsMs 23426 Specdb::MsMs 23427 Specdb::MsMs 23428 Specdb::MsMs 30224 Specdb::MsMs 30225 Specdb::MsMs 30226 Specdb::NmrOneD 314561 Specdb::NmrOneD 314562 Specdb::NmrOneD 314563 Specdb::NmrOneD 314564 Specdb::NmrOneD 314565 Specdb::NmrOneD 314566 Specdb::NmrOneD 314567 Specdb::NmrOneD 314568 Specdb::NmrOneD 314569 Specdb::NmrOneD 314570 Specdb::NmrOneD 314571 Specdb::NmrOneD 314572 Specdb::NmrOneD 314573 Specdb::NmrOneD 314574 Specdb::NmrOneD 314575 Specdb::NmrOneD 314576 Specdb::NmrOneD 314577 Specdb::NmrOneD 314578 Specdb::NmrOneD 314579 Specdb::NmrOneD 314580 FDB022373 131