1.0 2016-09-30 22:48:20 UTC 2020-05-05 18:40:16 UTC BMDB0001863 BMDB01863 2-Hydroxyvaleric acid alpha-Hydroxy-N-valeric acid alpha-Hydroxyvaleric acid a-Hydroxy-N-valerate a-Hydroxy-N-valeric acid alpha-Hydroxy-N-valerate Α-hydroxy-N-valerate Α-hydroxy-N-valeric acid a-Hydroxyvalerate a-Hydroxyvaleric acid alpha-Hydroxyvalerate Α-hydroxyvalerate Α-hydroxyvaleric acid 2-Hydroxyvalerate (+-)-2-Hydroxypentanoate (+-)-2-Hydroxypentanoic acid (S)-2-Hydroxyvaleric acid 2-Hydroxy-pentanoate 2-Hydroxy-pentanoic acid 2-Hydroxypentanoate 2-Hydroxypentanoic acid DL-2-Hydroxy valeric acid DL-2-Hydroxy valerate 2-Hydroxyvaleric acid C5H10O3 118.1311 118.062994186 2-hydroxypentanoic acid pentanoic acid, 2-hydroxy- 617-31-2 CCCC(O)C(O)=O InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) JRHWHSJDIILJAT-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Monosaccharides Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds 2-hydroxy monocarboxylic acid Hydroxy fatty acids Solid melting_point 34 °C logp 0.45 SANGSTER (1993) logp 0.26 ALOGPS logs 0.24 ALOGPS logp 0.5 ChemAxon pka_strongest_acidic 4.14 ChemAxon pka_strongest_basic -3.8 ChemAxon iupac 2-hydroxypentanoic acid ChemAxon average_mass 118.1311 ChemAxon mono_mass 118.062994186 ChemAxon smiles CCCC(O)C(O)=O ChemAxon formula C5H10O3 ChemAxon inchi InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8) ChemAxon inchikey JRHWHSJDIILJAT-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 27.96 ChemAxon polarizability 11.83 ChemAxon rotatable_bond_count 3 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::MsIr 1393 Specdb::MsIr 1394 Specdb::MsIr 1395 Specdb::CMs 3421 Specdb::CMs 32379 Specdb::CMs 38152 Specdb::CMs 99713 Specdb::CMs 171069 Specdb::MsMs 57153 Specdb::MsMs 57154 Specdb::MsMs 57155 Specdb::MsMs 112737 Specdb::MsMs 112738 Specdb::MsMs 112739 Specdb::MsMs 439242 Specdb::MsMs 2323435 Specdb::MsMs 2323436 Specdb::MsMs 2323437 Specdb::MsMs 2615232 Specdb::MsMs 2615233 Specdb::MsMs 2615234 Specdb::NmrOneD 271358 Specdb::NmrOneD 271359 Specdb::NmrOneD 271360 Specdb::NmrOneD 271361 Specdb::NmrOneD 271362 Specdb::NmrOneD 271363 Specdb::NmrOneD 271364 Specdb::NmrOneD 271365 Specdb::NmrOneD 271366 Specdb::NmrOneD 271367 Specdb::NmrOneD 271368 Specdb::NmrOneD 271369 Specdb::NmrOneD 271370 Specdb::NmrOneD 271371 Specdb::NmrOneD 271372 Specdb::NmrOneD 271373 Specdb::NmrOneD 271374 Specdb::NmrOneD 271375 Specdb::NmrOneD 271376 Specdb::NmrOneD 271377 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 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 88482 FDB022717 98009 60647 D'yakonov, I. A.; Vinogradova, N. B. Reactions of aliphatic diazo compounds with unsaturated compounds. VIII. Reaction of diazoacetic ester with allyl bromide. Zhurnal Obshchei Khimii (1951), 21 851-60.