1.0 2011-09-21 00:22:59 UTC 2015-07-21 06:57:28 UTC FDB022994 Trimethyltridecanoic acid Trimethyltridecanoic acid is the presumed breakdown product of the beta-oxidation of pristanic acid. Trimethyltridecanoic acid is a normal dietary constituent and has been reported to be present in human milk. Whether it's apparent accumulation in some patients with peroxisomal disease is secondary to the large increase in pristanic acid concentration in those individuals or whether its presence is indicative of their inability to oxidise this fatty acid is not known. (PMID: 2452737, Eur J Pediatr. 1988 Feb;147(2):143-7.) [HMDB] 4,8,12-TMTD 4,8,12-Tri-me 13:0 4,8,12-Tri-me C13:0 4,8,12-trimethyl-tridecanoate 4,8,12-trimethyl-tridecanoic acid 4,8,12-Trimethyldecylate 4,8,12-Trimethyldecylic acid 4,8,12-Trimethyltridecanoate 4,8,12-Trimethyltridecanoic acid Trimethyldecanoate Trimethyldecanoic acid Trimethyltridecanoate Trimethyltridecanoic acid C16H32O2 256.4241 256.240230268 4,8,12-trimethyltridecanoic acid trimethyltridecanoic acid 10339-73-8 CC(C)CCCC(C)CCCC(C)CCC(O)=O InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18) FUYCAQNCWDAOLQ-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Long-chain fatty acids Methyl-branched fatty acids Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Farsesane sesquiterpenoid Fatty acid Fatty acyl Hydrocarbon derivative Long-chain fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid Branched fatty acids long-chain fatty acid methyl-branched fatty acid Solid logp 5.94 ALOGPS logs -5.70 ALOGPS solubility 5.17e-04 g/l ALOGPS logp 5.78 ChemAxon pka_strongest_acidic 5.04 ChemAxon iupac 4,8,12-trimethyltridecanoic acid ChemAxon average_mass 256.4241 ChemAxon mono_mass 256.240230268 ChemAxon smiles CC(C)CCCC(C)CCCC(C)CCC(O)=O ChemAxon formula C16H32O2 ChemAxon inchi InChI=1S/C16H32O2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16(17)18/h13-15H,5-12H2,1-4H3,(H,17,18) ChemAxon inchikey FUYCAQNCWDAOLQ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 76.93 ChemAxon polarizability 33.09 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 10715 Specdb::MsMs 10716 Specdb::MsMs 10717 Specdb::MsMs 17387 Specdb::MsMs 17388 Specdb::MsMs 17389 Specdb::MsMs 2358045 Specdb::MsMs 2358046 Specdb::MsMs 2358047 Specdb::MsMs 2604494 Specdb::MsMs 2604495 Specdb::MsMs 2604496 Specdb::CMs 18365 Specdb::CMs 38410 Specdb::CMs 163680 HMDB02396 #<Reference:0x00007f093c148ce0> 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