1.0 2010-04-08 22:09:31 UTC 2019-11-26 03:04:41 UTC FDB011219 Arsenobetaine Found in algae, lobsters, sharks, etc. Arsenobetaine is an organoarsenic compound that is the main source of arsenic found in fish. It is the arsenic analogue of trimethylglycine, commonly known as betaine. The biochemistry and its biosynthesis are similar to the biosynthesis of choline and betaine. The; Besides several other arsenic compounds, such as dimethylarsine and trimethylarsine, arsenobetaine is a common substance in the marine biological systems for arsenic detoxification. (carboxymethyl)trimethylarsonium hydroxide inner salt (Carboxymethyl)trimethylarsonium hydroxide inner salt, 9CI 2-(Trimethylarsonio)acetate Arsenobetaine monohydrate Arsonium, (carboxymethyl)trimethyl-, hydroxide, inner salt C5H11AsO2 178.0612 177.997501013 2-(trimethylarsaniumyl)acetate arsenobetaine 64436-13-1 C[As+](C)(C)CC([O-])=O InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 SPTHHTGLGVZZRH-UHFFFAOYSA-N belongs to the class of organic compounds known as tetraorganoarsonium salts. These are organoarsenic compounds, where the arsenic atom is tetrasubstituted by organic groups. They have the general structure R4[As+]X-, X=any atom but H. Tetraorganoarsonium salts Organic compounds Organometallic compounds Organometalloid compounds Organoarsenic compounds Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic metalloid salts Organic oxides Organopnictogen compounds Oxygen-containing organoarsenic compounds Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Hydrocarbon derivative Monocarboxylic acid or derivatives Organic metalloid salt Organic oxide Organic oxygen compound Organic salt Organooxygen compound Organopnictogen compound Oxygen-containing organoarsenic compound Tetraorganoarsonium salt organic salt logp 1.84 ALOGPS logs -1.59 ALOGPS solubility 6.00e+00 g/l ALOGPS melting_point Mp 204-210° dec. logp 0.94 ChemAxon pka_strongest_acidic 2.9 ChemAxon iupac 2-(trimethylarsaniumyl)acetate ChemAxon average_mass 178.0612 ChemAxon mono_mass 177.997501013 ChemAxon smiles C[As+](C)(C)CC([O-])=O ChemAxon formula C5H11AsO2 ChemAxon inchi InChI=1S/C5H11AsO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3 ChemAxon inchikey SPTHHTGLGVZZRH-UHFFFAOYSA-N ChemAxon polar_surface_area 40.13 ChemAxon refractivity 39.27 ChemAxon polarizability 13.9 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19875 Specdb::CMs 175445 Specdb::MsIr 6044 Specdb::MsIr 6045 Specdb::NmrOneD 118638 Specdb::NmrOneD 118639 Specdb::NmrOneD 118640 Specdb::NmrOneD 118641 Specdb::NmrOneD 118642 Specdb::NmrOneD 118643 Specdb::NmrOneD 118644 Specdb::NmrOneD 118645 Specdb::NmrOneD 118646 Specdb::NmrOneD 118647 Specdb::NmrOneD 118648 Specdb::NmrOneD 118649 Specdb::NmrOneD 118650 Specdb::NmrOneD 118651 Specdb::NmrOneD 118652 Specdb::NmrOneD 118653 Specdb::NmrOneD 118654 Specdb::NmrOneD 118655 Specdb::NmrOneD 118656 Specdb::NmrOneD 118657 Specdb::MsMs 310270 Specdb::MsMs 310271 Specdb::MsMs 310272 Specdb::MsMs 354925 Specdb::MsMs 354926 Specdb::MsMs 354927 Specdb::MsMs 2658820 Specdb::MsMs 2658821 Specdb::MsMs 2658822 Specdb::MsMs 3050804 Specdb::MsMs 3050805 Specdb::MsMs 3050806 HMDB33206 #<Reference:0x000055ce32bd4bf0> Crustaceans Unknown generic 6657