1.0 2016-09-30 22:45:37 UTC 2020-05-21 16:28:34 UTC BMDB0001416 BMDB01416 Pantetheine 4'-phosphate Pantetheine 4'-phosphate, also known as Pantetheine 4'-phosphate or PSH-4'-p, belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Pantetheine 4'-phosphate is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Pantetheine 4'-phosphate exists in all living species, ranging from bacteria to humans. Pantetheine 4'-phosphate participates in a number of enzymatic reactions, within cattle. In particular, Pantetheine 4'-phosphate can be biosynthesized from pantetheine through the action of the enzyme pantothenate kinase 1. In addition, Pantetheine 4'-phosphate can be biosynthesized from 4'-phosphopantothenoylcysteine through its interaction with the enzyme phosphopantothenoylcysteine decarboxylase. In cattle, pantetheine 4'-phosphate is involved in the metabolic pathway called pantothenate and CoA biosynthesis pathway. 4'-Phosphopantetheine Pantotheine-4'-phosphate Phosphopantetheine PSH-4'-p Pantotheine-4'-phosphoric acid Pantetheine 4'-phosphoric acid 4'-Phosphopantotheine D-Pantetheine 4'-phosphate Phospho-pantotheine Pantetheine-4'-phosphate C11H23N2O7PS 358.348 358.096358302 [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid pantetheine 4'-phosphate 2226-71-3 CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19) JDMUPRLRUUMCTL-UHFFFAOYSA-N belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. Organic compounds Organic acids and derivatives Organic phosphoric acids and derivatives Phosphate esters Monoalkyl phosphates Alkylthiols Carboximidic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Alcohol Aliphatic acyclic compound Alkylthiol Carboximidic acid Carboximidic acid derivative Hydrocarbon derivative Monoalkyl phosphate Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Secondary alcohol Aliphatic acyclic compounds phosphopantetheine Solid logp -0.71 ALOGPS logs -2.98 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 1.79 ChemAxon pka_strongest_basic -1.5 ChemAxon iupac [3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphonic acid ChemAxon average_mass 358.348 ChemAxon mono_mass 358.096358302 ChemAxon smiles CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NCCS ChemAxon formula C11H23N2O7PS ChemAxon inchi InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19) ChemAxon inchikey JDMUPRLRUUMCTL-UHFFFAOYSA-N ChemAxon polar_surface_area 145.19 ChemAxon refractivity 81.58 ChemAxon polarizability 34.28 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 6 ChemAxon donor_count 6 ChemAxon physiological_charge -2 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 2894 Specdb::CMs 38063 Specdb::MsMs 27113 Specdb::MsMs 27114 Specdb::MsMs 27115 Specdb::MsMs 33671 Specdb::MsMs 33672 Specdb::MsMs 33673 Specdb::NmrOneD 315401 Specdb::NmrOneD 315402 Specdb::NmrOneD 315403 Specdb::NmrOneD 315404 Specdb::NmrOneD 315405 Specdb::NmrOneD 315406 Specdb::NmrOneD 315407 Specdb::NmrOneD 315408 Specdb::NmrOneD 315409 Specdb::NmrOneD 315410 Specdb::NmrOneD 315411 Specdb::NmrOneD 315412 Specdb::NmrOneD 315413 Specdb::NmrOneD 315414 Specdb::NmrOneD 315415 Specdb::NmrOneD 315416 Specdb::NmrOneD 315417 Specdb::NmrOneD 315418 Specdb::NmrOneD 315419 Specdb::NmrOneD 315420 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 FDB022609 C01134 962 987 16858 36886 Masuda, Toru; Fujii, Shoichiro; Takanohashi, Kunio. Pantetheine 4'-phosphate. Jpn. Tokkyo Koho (1971), 3 pp. BMDBP00368 Fatty acid synthase Q71SP7 FASN Enzyme BMDBP01088 Acyl carrier protein, mitochondrial P52505 NDUFAB1 Enzyme BMDBP01212 Pantothenate kinase 3 Q08DA5 PANK3 Enzyme BMDBP02891 Phosphopantothenoylcysteine decarboxylase Q58DB8 PPCDC Enzyme BMDBP02892 Dephospho-CoA kinase domain-containing protein Q3ZBS0 DCAKD Enzyme BMDBP03188 Ectonucleotide pyrophosphatase/phosphodiesterase family member 3 P15396 ENPP3 Enzyme