1.0 2016-09-30 22:39:56 UTC 2020-05-11 20:38:31 UTC BMDB0001015 BMDB01015 N-Formyl-L-methionine N-Formyl-L-methionine, also known as fmet or for-met-OH, belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-Formyl-L-methionine is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). FMet For-met-OH Formyl-L-methionine Formylmethionine N-Formyl-methionine (2R)-2-[(Hydroxymethylidene)amino]-4-(methylsulfanyl)butanoate (2R)-2-[(Hydroxymethylidene)amino]-4-(methylsulphanyl)butanoate (2R)-2-[(Hydroxymethylidene)amino]-4-(methylsulphanyl)butanoic acid C6H11NO3S 177.221 177.045963913 (2R)-2-formamido-4-(methylsulfanyl)butanoic acid N-formylmethionine 4289-98-9 CSCC[C@@H](NC=O)C(O)=O InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1 PYUSHNKNPOHWEZ-RXMQYKEDSA-N belongs to the class of organic compounds known as methionine and derivatives. Methionine and derivatives are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Methionine and derivatives Carbonyl compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Monocarboxylic acids and derivatives N-formyl-alpha amino acids Organic oxides Organonitrogen compounds Organopnictogen compounds Secondary carboxylic acid amides Sulfenyl compounds Thia fatty acids Aliphatic acyclic compound Carbonyl group Carboxamide group Carboxylic acid Dialkylthioether Fatty acid Fatty acyl Hydrocarbon derivative Methionine or derivatives Monocarboxylic acid or derivatives N-formyl-alpha amino acid or derivatives N-formyl-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Secondary carboxylic acid amide Sulfenyl compound Thia fatty acid Thioether Aliphatic acyclic compounds Solid logp -0.61 ALOGPS logs -1.26 ALOGPS logp -0.16 ChemAxon pka_strongest_acidic 3.93 ChemAxon pka_strongest_basic -1.4 ChemAxon iupac (2R)-2-formamido-4-(methylsulfanyl)butanoic acid ChemAxon average_mass 177.221 ChemAxon mono_mass 177.045963913 ChemAxon smiles CSCC[C@@H](NC=O)C(O)=O ChemAxon formula C6H11NO3S ChemAxon inchi InChI=1S/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)/t5-/m1/s1 ChemAxon inchikey PYUSHNKNPOHWEZ-RXMQYKEDSA-N ChemAxon polar_surface_area 66.4 ChemAxon refractivity 42.54 ChemAxon polarizability 17.46 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 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 Specdb::NmrTwoD 1573 Specdb::CMs 23791 Specdb::CMs 37892 Specdb::NmrOneD 1632 Specdb::MsMs 1387 Specdb::MsMs 1388 Specdb::MsMs 1389 Specdb::MsMs 318736 Specdb::MsMs 318737 Specdb::MsMs 318738 Specdb::MsMs 365626 Specdb::MsMs 365627 Specdb::MsMs 365628 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 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Milk By UPLC-Q-TOF Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828 Placenta 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 FDB022372 6995182 5363142 C03145 16552 N-FORMYLMETHIONINE 5945 Milligan D L; Koshland D E Jr The amino terminus of the aspartate chemoreceptor is formylmethionine. The Journal of biological chemistry (1990), 265(8), 4455-60. Pan L, Yu J, Mi Z, Mo L, Jin H, Yao C, Ren D, Menghe B: A Metabolomics Approach Uncovers Differences between Traditional and Commercial Dairy Products in Buryatia (Russian Federation). Molecules. 2018 Mar 22;23(4). pii: molecules23040735. doi: 10.3390/molecules23040735. 29565828