1.0 2011-09-21 00:35:24 UTC 2015-07-21 06:57:53 UTC FDB023827 Putreanine Putreanine is a new amino acid isolated from mammalian and bird brain.Its structure represents a condensation of putrescine and b-alanine and is therefore named putreanine.This amino acid can be synthesized by condensation of 4-phthalimino-1-bromobutane and ethyl b-alaninate followed by add hydrolysis.It was only detected in the central nervous system of mammalian and avian organisms. Its concentration was highest in caudal regions of the brain, and the white matter of the cerebral and cerebellar cortices and the spinal cord contained more than grey matter of the corresponding areas. Putreanine appears in the brain of rats 2 weeks after birth and subsequently its concentration increases for several months.The concentration of this amino acid in mammalian brain is roughly 50 mmoles per g, which is comparable to the concentrations of branched amino acids, aromatic amino acids, histidine, and ornithine in the same tissue.[PMID:5350953] [HMDB] N-(2-Carboxyethyl)putrescine N-(4-Aminobutyl)-3-aminopropionic acid N-(4-aminobutyl)-beta-Alanine C7H17N2O2 161.2221 161.129002798 3-[(4-azaniumylbutyl)amino]propanoic acid 3-[(4-ammoniobutyl)amino]propanoic acid 25887-39-2 [NH3+]CCCCNCCC(O)=O InChI=1S/C7H16N2O2/c8-4-1-2-5-9-6-3-7(10)11/h9H,1-6,8H2,(H,10,11)/p+1 BTSHXVLJDRJCMM-UHFFFAOYSA-O belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Beta amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Amino acids Carbonyl compounds Carboxylic acids Dialkylamines Hydrocarbon derivatives Monoalkylamines Monocarboxylic acids and derivatives Organic cations Organic oxides Organopnictogen compounds Aliphatic acyclic compound Amine Amino acid Beta amino acid or derivatives Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic cation Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary aliphatic amine Primary amine Secondary aliphatic amine Secondary amine Solid logp -2.40 ALOGPS logs -1.33 ALOGPS solubility 9.23e+00 g/l ALOGPS logp -3.4 ChemAxon pka_strongest_acidic 4.05 ChemAxon pka_strongest_basic 10.69 ChemAxon iupac 3-[(4-azaniumylbutyl)amino]propanoic acid ChemAxon average_mass 161.2221 ChemAxon mono_mass 161.129002798 ChemAxon smiles [NH3+]CCCCNCCC(O)=O ChemAxon formula C7H17N2O2 ChemAxon inchi InChI=1S/C7H16N2O2/c8-4-1-2-5-9-6-3-7(10)11/h9H,1-6,8H2,(H,10,11)/p+1 ChemAxon inchikey BTSHXVLJDRJCMM-UHFFFAOYSA-O ChemAxon polar_surface_area 76.97 ChemAxon refractivity 54.23 ChemAxon polarizability 18.47 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 1 ChemAxon Specdb::CMs 23302 Specdb::CMs 38955 Specdb::CMs 158036 Specdb::MsMs 84531 Specdb::MsMs 84532 Specdb::MsMs 84533 Specdb::MsMs 146412 Specdb::MsMs 146413 Specdb::MsMs 146414 Specdb::MsMs 2825377 Specdb::MsMs 2825378 Specdb::MsMs 2825379 Specdb::NmrOneD 67652 Specdb::NmrOneD 67653 Specdb::NmrOneD 67654 Specdb::NmrOneD 67655 Specdb::NmrOneD 67656 Specdb::NmrOneD 67657 Specdb::NmrOneD 67658 Specdb::NmrOneD 67659 Specdb::NmrOneD 67660 Specdb::NmrOneD 67661 Specdb::NmrOneD 67662 Specdb::NmrOneD 67663 Specdb::NmrOneD 67664 Specdb::NmrOneD 67665 Specdb::NmrOneD 67666 Specdb::NmrOneD 67667 Specdb::NmrOneD 67668 Specdb::NmrOneD 67669 Specdb::NmrOneD 67670 Specdb::NmrOneD 67671 HMDB06078 #<Reference:0x000055ce32c8d358> 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