1.0 2016-09-30 22:35:08 UTC 2020-05-21 16:27:11 UTC BMDB0000700 BMDB00700 Hydroxypropionic acid 3-HYDROXY-propanoIC ACID 3-Hydroxypropanoic acid beta-Hydroxypropionic acid Hydracrylic acid 3-Hydroxypropionate 3-Hydroxypropionic acid 3-HYDROXY-propanoate 3-Hydroxypropanoate b-Hydroxypropionate b-Hydroxypropionic acid beta-Hydroxypropionate Β-hydroxypropionate Β-hydroxypropionic acid Hydracrylate Hydroxypropionate 2-Deoxyglycerate 2-Deoxyglyceric acid b-Lactate b-Lactic acid beta-Lactate beta-Lactic acid Ethylenelactate Ethylenelactic acid C3H6O3 90.0779 90.031694058 3-hydroxypropanoic acid hydroxypropionic acid 503-66-2 OCCC(O)=O InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ALRHLSYJTWAHJZ-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Aliphatic acyclic compounds 3-hydroxy monocarboxylic acid omega-hydroxy fatty acid Solid melting_point < 25 °C logp -0.95 ALOGPS logs 0.86 ALOGPS logp -0.8 ChemAxon pka_strongest_acidic 4.2 ChemAxon pka_strongest_basic -2.5 ChemAxon iupac 3-hydroxypropanoic acid ChemAxon average_mass 90.0779 ChemAxon mono_mass 90.031694058 ChemAxon smiles OCCC(O)=O ChemAxon formula C3H6O3 ChemAxon inchi InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) ChemAxon inchikey ALRHLSYJTWAHJZ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 19.05 ChemAxon polarizability 8.15 ChemAxon rotatable_bond_count 2 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 Propanoate Metabolism SMP0087248 Specdb::NmrTwoD 1432 Specdb::MsMs 975 Specdb::MsMs 976 Specdb::MsMs 977 Specdb::MsMs 4471 Specdb::MsMs 4472 Specdb::MsMs 4473 Specdb::MsMs 4474 Specdb::MsMs 4475 Specdb::MsMs 21230 Specdb::MsMs 21231 Specdb::MsMs 21232 Specdb::MsMs 22781 Specdb::MsMs 22782 Specdb::MsMs 22783 Specdb::MsMs 437915 Specdb::MsMs 437916 Specdb::MsMs 437917 Specdb::MsMs 437918 Specdb::MsMs 437919 Specdb::MsMs 2246623 Specdb::MsMs 2247677 Specdb::MsMs 2248601 Specdb::MsMs 2249770 Specdb::MsMs 2250606 Specdb::MsMs 2251799 Specdb::MsIr 754 Specdb::MsIr 755 Specdb::MsIr 756 Specdb::CMs 13875 Specdb::CMs 31861 Specdb::CMs 31862 Specdb::CMs 37703 Specdb::CMs 99593 Specdb::CMs 99594 Specdb::CMs 151270 Specdb::CMs 1072522 Specdb::CMs 1072524 Specdb::CMs 1072526 Specdb::CMs 1072528 Specdb::CMs 1072530 Specdb::NmrOneD 1486 Specdb::NmrOneD 2410 Specdb::NmrOneD 3100 Specdb::NmrOneD 144950 Specdb::NmrOneD 144951 Specdb::NmrOneD 144952 Specdb::NmrOneD 144953 Specdb::NmrOneD 144954 Specdb::NmrOneD 144955 Specdb::NmrOneD 144956 Specdb::NmrOneD 144957 Specdb::NmrOneD 144958 Specdb::NmrOneD 144959 Specdb::NmrOneD 144960 Specdb::NmrOneD 144961 Specdb::NmrOneD 144962 Specdb::NmrOneD 144963 Specdb::NmrOneD 144964 Specdb::NmrOneD 144965 Specdb::NmrOneD 144966 Specdb::NmrOneD 144967 Specdb::NmrOneD 144968 Specdb::NmrOneD 144969 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 Mammary Gland 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 Mammary Gland 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 FDB022189 61460 C01013 68152 DB03688 33404 C00052684 3-HYDROXY-PROPIONATE Hydroxypropanoic acid 53188 5668 Suthers, Patrick F.; Cameron, Douglas C. Production of 3-hydroxypropionic acid in recombinant organisms. PCT Int. Appl. (2001), 63 pp. BMDBP00549 3-hydroxyisobutyryl-CoA hydrolase, mitochondrial Q2HJ73 HIBCH Enzyme