1.0 2011-09-21 00:10:30 UTC 2015-10-09 22:30:50 UTC FDB022224 Methylglutaric acid Methylglutaric acid is a leucine metabolite. A large amount of methylglutaric acid is identified in urine of patients with deficiency of 3-methylglutaconyl coenzyme A hydratase (PMID 6181239). [HMDB] 3-methyl-Glutarate 3-methyl-Glutaric acid 3-Methylglutarate 3-Methylglutaric acid 3-Methylpentanedioate 3-Methylpentanedioic acid b-methyl-Glutaric acid b-Methylglutarate b-Methylglutaric acid beta-methyl-Glutaric acid beta-Methylglutarate beta-Methylglutaric acid Methylglutarate β-methylglutarate β-methylglutaric acid C6H10O4 146.1412 146.057908808 3-methylpentanedioic acid methylglutaric acid 626-51-7 CC(CC(O)=O)CC(O)=O InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) XJMMNTGIMDZPMU-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Methyl-branched fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Methyl-branched fatty acid Organic oxide Organic oxygen compound Organooxygen compound Dicarboxylic acids alpha,omega-dicarboxylic acid Solid logp 0.33 ALOGPS logs -0.60 ALOGPS solubility 3.69e+01 g/l ALOGPS logp 0.33 ChemAxon pka_strongest_acidic 3.91 ChemAxon iupac 3-methylpentanedioic acid ChemAxon average_mass 146.1412 ChemAxon mono_mass 146.057908808 ChemAxon smiles CC(CC(O)=O)CC(O)=O ChemAxon formula C6H10O4 ChemAxon inchi InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) ChemAxon inchikey XJMMNTGIMDZPMU-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 32.69 ChemAxon polarizability 13.88 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 700 Specdb::MsIr 826 Specdb::MsIr 827 Specdb::MsIr 828 Specdb::NmrTwoD 1467 Specdb::CMs 641 Specdb::CMs 1111 Specdb::CMs 18419 Specdb::CMs 30025 Specdb::CMs 30078 Specdb::CMs 30448 Specdb::CMs 31220 Specdb::CMs 32040 Specdb::CMs 37744 Specdb::CMs 151226 Specdb::CMs 1074716 Specdb::CMs 1074718 Specdb::CMs 1074719 Specdb::NmrOneD 1521 Specdb::NmrOneD 3246 Specdb::NmrOneD 20722 Specdb::NmrOneD 20723 Specdb::NmrOneD 20724 Specdb::NmrOneD 20725 Specdb::NmrOneD 20726 Specdb::NmrOneD 20727 Specdb::NmrOneD 20728 Specdb::NmrOneD 20729 Specdb::NmrOneD 20730 Specdb::NmrOneD 20731 Specdb::NmrOneD 20732 Specdb::NmrOneD 20733 Specdb::NmrOneD 20734 Specdb::NmrOneD 20735 Specdb::NmrOneD 20736 Specdb::NmrOneD 20737 Specdb::NmrOneD 20738 Specdb::NmrOneD 20739 Specdb::NmrOneD 20740 Specdb::NmrOneD 20741 Specdb::MsMs 1074 Specdb::MsMs 1075 Specdb::MsMs 1076 Specdb::MsMs 306844 Specdb::MsMs 306845 Specdb::MsMs 306846 Specdb::MsMs 350617 Specdb::MsMs 350618 Specdb::MsMs 350619 Specdb::MsMs 440128 Specdb::MsMs 451964 Specdb::MsMs 2236594 Specdb::MsMs 2236765 Specdb::MsMs 2238692 Specdb::MsMs 2238901 Specdb::MsMs 2240794 Specdb::MsMs 2240889 Specdb::MsMs 2242912 Specdb::MsMs 2242950 Specdb::MsMs 2831467 Specdb::MsMs 2831468 Specdb::MsMs 2831469 Specdb::MsMs 2847602 Specdb::MsMs 2847603 Specdb::MsMs 2847604 HMDB00752 #<Reference:0x0000561271f834a8> #<Reference:0x0000561271f832f0> #<Reference:0x0000561271f83110> #<Reference:0x0000561271f82eb8> #<Reference:0x0000561271f82cd8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823