24280 <common-name>Carnitine</common-name> <description nil="true"/> <cas>461-06-3</cas> <pubchem-id>288</pubchem-id> <chemical-formula>C7H15NO3</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">2016-05-25T20:53:03Z</created-at> <updated-at type="dateTime">2026-05-14T17:44:36Z</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>DB02648</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>C[N+](C)(C)CC(O)CC([O-])=O</moldb-smiles> <moldb-formula>C7H15NO3</moldb-formula> <moldb-inchi>InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3</moldb-inchi> <moldb-inchikey>PHIQHXFUZVPYII-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">161.1989</moldb-average-mass> <moldb-mono-mass type="decimal">161.105193351</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-4.9</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>282</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>CHEM023175</chemdb-id> <dsstox-id>DTXSID3022744</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00009461</susdat-id> <iupac>[(2R)-3-carboxy-2-hydroxypropyl]trimethylazanium</iupac> <moldb-polar-surface-area>60.36</moldb-polar-surface-area> <moldb-refractivity>63.48530000000001</moldb-refractivity> <moldb-polarizability>16.92647114441721</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.196175564563187</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.569523257122939</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>-2.90</moldb-alogps-logp> <moldb-alogps-logs>-1.60</moldb-alogps-logs> <moldb-alogps-solubility>5.33e+00 g/l</moldb-alogps-solubility> </compound>