24242 <common-name>L-Canavanine</common-name> <description nil="true"/> <cas>543-38-4</cas> <pubchem-id>439202</pubchem-id> <chemical-formula>C5H12N4O3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-25T20:51:30Z</created-at> <updated-at type="dateTime">2026-05-14T17:17:58Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id>DB01833</drugbank-id> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>NC(CCON=C(N)N)C(O)=O</moldb-smiles> <moldb-formula>C5H12N4O3</moldb-formula> <moldb-inchi>InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)</moldb-inchi> <moldb-inchikey>FSBIGDSBMBYOPN-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">176.1738</moldb-average-mass> <moldb-mono-mass type="decimal">176.09094027</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-3.7</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>388342</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM023137</chemdb-id> <dsstox-id>DTXSID5045041</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00014863</susdat-id> <iupac>(2S)-2-amino-4-(carbamimidamidooxy)butanoic acid</iupac> <moldb-polar-surface-area>134.45000000000002</moldb-polar-surface-area> <moldb-refractivity>61.2436</moldb-refractivity> <moldb-polarizability>17.023159241488404</moldb-polarizability> <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>5</moldb-donor-count> <moldb-pka-strongest-acidic>2.1032409501189444</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>10.343629284146132</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-3.86</moldb-alogps-logp> <moldb-alogps-logs>-1.80</moldb-alogps-logs> <moldb-alogps-solubility>2.77e+00 g/l</moldb-alogps-solubility> </compound>