1.0 2011-09-21 00:26:27 UTC 2015-07-21 06:57:35 UTC FDB023217 Phosphoguanidinoacetate Phosphoguanidinoacetate is formed due to phosphorylation of urinary guanidinoacetic acid in the presence of ATP by guanidinoacetate kinase. (PMID: 1667626) [HMDB] (N'-onocarbamimidamido)acetate (N'-onocarbamimidamido)acetic acid (N'-onoguanidino)acetate (N'-onoguanidino)acetic acid Guanidinoacetate ate Guanidinoacetate phosphate Guanidinoacetic acid ic acid Oguanidinoacetate Oguanidinoacetic acid Oguanidoacetate Oguanidoacetic acid Phosphoguanidinoacetate Phosphoguanidinoacetic acid C3H8N3O5P 197.0865 197.020156893 2-[(E)-[amino(phosphonoamino)methylidene]amino]acetic acid [(E)-[amino(phosphonoamino)methylidene]amino]acetic acid 5115-19-5 N\C(NP(O)(O)=O)=N/CC(O)=O InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11) UUZLOPBEONRDRY-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha amino acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aliphatic acyclic compounds Carbonyl compounds Carboximidamides Carboxylic acids Guanidines Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic phosphoric acids and derivatives Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Aliphatic acyclic compound Alpha-amino acid or derivatives Carbonyl group Carboximidamide Carboxylic acid Guanidine Hydrocarbon derivative Monocarboxylic acid or derivatives Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound guanidinoacetates phosphoramide Solid logp -2.05 ALOGPS logs -1.44 ALOGPS solubility 7.18e+00 g/l ALOGPS logp -2.6 ChemAxon pka_strongest_acidic -1.1 ChemAxon pka_strongest_basic 10.89 ChemAxon iupac 2-[(E)-[amino(phosphonoamino)methylidene]amino]acetic acid ChemAxon average_mass 197.0865 ChemAxon mono_mass 197.020156893 ChemAxon smiles N\C(NP(O)(O)=O)=N/CC(O)=O ChemAxon formula C3H8N3O5P ChemAxon inchi InChI=1S/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11) ChemAxon inchikey UUZLOPBEONRDRY-UHFFFAOYSA-N ChemAxon polar_surface_area 145.24 ChemAxon refractivity 37.59 ChemAxon polarizability 15.06 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9631 Specdb::CMs 38647 Specdb::CMs 160366 Specdb::MsMs 287245 Specdb::MsMs 287246 Specdb::MsMs 287247 Specdb::MsMs 326044 Specdb::MsMs 326045 Specdb::MsMs 326046 Specdb::MsMs 2826835 Specdb::MsMs 2826836 Specdb::MsMs 2826837 Specdb::MsMs 2856079 Specdb::MsMs 2856080 Specdb::MsMs 2856081 Specdb::NmrOneD 28622 Specdb::NmrOneD 28623 Specdb::NmrOneD 28624 Specdb::NmrOneD 28625 Specdb::NmrOneD 28626 Specdb::NmrOneD 28627 Specdb::NmrOneD 28628 Specdb::NmrOneD 28629 Specdb::NmrOneD 28630 Specdb::NmrOneD 28631 Specdb::NmrOneD 28632 Specdb::NmrOneD 28633 Specdb::NmrOneD 28634 Specdb::NmrOneD 28635 Specdb::NmrOneD 28636 Specdb::NmrOneD 28637 Specdb::NmrOneD 28638 Specdb::NmrOneD 28639 Specdb::NmrOneD 28640 Specdb::NmrOneD 28641 Specdb::MsIr 2052 Specdb::MsIr 2053 Specdb::MsIr 2054 HMDB03705 16034 #<Reference:0x00005636d309e380> #<Reference:0x00005636d309e1c8> 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 Columba 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 Animal Capra aegagrus hircus 9925 Domestic pig Type 1 Animal Sus scrofa domesticus 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus cuniculus 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 hemionus 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