1.0 2016-09-30 22:43:49 UTC 2020-05-21 16:28:29 UTC BMDB0001301 BMDB01301 1-Pyrroline-5-carboxylic acid 3,4-Dihydro-2H-pyrrole-2-carboxylate Delta(1)-Pyrroline-5-carboxylic acid 3,4-Dihydro-2H-pyrrole-2-carboxylic acid delta(1)-Pyrroline-5-carboxylate Δ(1)-pyrroline-5-carboxylate Δ(1)-pyrroline-5-carboxylic acid 1-Pyrroline-5-carboxylate delta(1)Pyrroline-5-carboxylate delta-1-Pyrroline-5-carboxylate, 14C-labeled, (+-)-isomer Pyrroline-5-carboxylate delta-1-Pyrroline-5-carboxylate delta-1-Pyrroline-5-carboxylate, (+-)-isomer delta-1-Pyrroline-5-carboxylic acid (S)-1-Pyrroline-5-carboxylate D1-Pyrroline-5-carboxylate D1-Pyrroline-5-carboxylic acid DL-1-Pyrroline-5-carboxylate DL-1-Pyrroline-5-carboxylic acid L-1-Pyrroline-5-carboxylate L-delta 1-Pyrroline-5-carboxylate Pyrroline 5-carboxylate C5H7NO2 113.1146 113.047678473 3,4-dihydro-2H-pyrrole-2-carboxylic acid 1-pyrroline-5-carboxylic acid 2906-39-0 OC(=O)C1CCC=N1 InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8) DWAKNKKXGALPNW-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acids and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Imines Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrroline carboxylic acids Aliphatic heteromonocyclic compound Alpha-amino acid or derivatives Azacycle Carbonyl group Carboxylic acid Hydrocarbon derivative Imine Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrroline Pyrroline carboxylic acid Pyrroline carboxylic acid or derivatives Aliphatic heteromonocyclic compounds 1-pyrrolinecarboxylic acid Solid logp -0.01 ALOGPS logs -0.94 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 1.82 ChemAxon pka_strongest_basic 6.07 ChemAxon iupac 3,4-dihydro-2H-pyrrole-2-carboxylic acid ChemAxon average_mass 113.1146 ChemAxon mono_mass 113.047678473 ChemAxon smiles OC(=O)C1CCC=N1 ChemAxon formula C5H7NO2 ChemAxon inchi InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8) ChemAxon inchikey DWAKNKKXGALPNW-UHFFFAOYSA-N ChemAxon polar_surface_area 49.66 ChemAxon refractivity 27.4 ChemAxon polarizability 10.7 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Arginine and Proline Metabolism SMP0087178 Glutamate Metabolism SMP0087169 Specdb::CMs 2878 Specdb::CMs 38013 Specdb::MsMs 28316 Specdb::MsMs 28317 Specdb::MsMs 28318 Specdb::MsMs 34874 Specdb::MsMs 34875 Specdb::MsMs 34876 Specdb::MsMs 1470821 Specdb::NmrOneD 319691 Specdb::NmrOneD 319692 Specdb::NmrOneD 319693 Specdb::NmrOneD 319694 Specdb::NmrOneD 319695 Specdb::NmrOneD 319696 Specdb::NmrOneD 319697 Specdb::NmrOneD 319698 Specdb::NmrOneD 319699 Specdb::NmrOneD 319700 Specdb::NmrOneD 319701 Specdb::NmrOneD 319702 Specdb::NmrOneD 319703 Specdb::NmrOneD 319704 Specdb::NmrOneD 319705 Specdb::NmrOneD 319706 Specdb::NmrOneD 319707 Specdb::NmrOneD 319708 Specdb::NmrOneD 319709 Specdb::NmrOneD 319710 Intestine Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 FDB022542 C04322 1159 1196 1372 C00007606 l-delta(1)-pyrroline_5-carboxylate 42766 1-Pyrroline-5-carboxylic acid 6145 Vogel, Henry J.; Davis, Bernard D. Glutamic g-semialdehyde and D1-pyrroline-5-carboxylic acid, intermediates in the biosynthesis of proline. Journal of the American Chemical Society (1952), 74 109-12. BMDBP00860 Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial A7YWE4 ALDH4A1 Enzyme BMDBP00873 Hydroxyproline dehydrogenase A6QQ74 PRODH2 Enzyme BMDBP01016 Pyrroline-5-carboxylate reductase 3 Q58D08 PYCR3 Enzyme BMDBP01018 Pyrroline-5-carboxylate reductase 2 Q17QJ7 PYCR2 Enzyme BMDBP01024 Pyrroline-5-carboxylate reductase 1, mitochondrial Q58DT4 PYCR1 Enzyme BMDBP02872 Proline dehydrogenase 1, mitochondrial Q148G5 PRODH Enzyme