20386 <common-name>Pyridoxamine phosphate</common-name> <description>Pyridoxamine phosphate is an organic compound with the chemical formula C8H13N2O5P and an average molecular weight of 248.17 g/mol. Pyridoxamine phosphate belongs to the pyridoxamines, a subclass of pyridines and derivatives within the organic compounds. It is categorized under the superclass of organoheterocyclic compounds. This compound is found in or released from one recorded source, which is food, food processing & cookware, specifically in the preparation of malt. In terms of biological activity, pyridoxamine phosphate interacts with nine recorded protein targets. These targets include alanine racemase (alr), glutamate-1-semialdehyde 2,1-aminomutase (hemL), histidinol-phosphate aminotransferase (hisC), and D-alanine aminotransferase (dat), along with five other proteins.</description> <cas>529-96-4</cas> <pubchem-id>1053</pubchem-id> <chemical-formula>C8H13N2O5P</chemical-formula> <weight>248.17</weight> <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">2016-05-22T05:58:44Z</created-at> <updated-at type="dateTime">2026-08-24T14:14:45Z</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>DB02142</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>CC1=NC=C(COP(O)(O)=O)C(CN)=C1O</moldb-smiles> <moldb-formula>C8H13N2O5P</moldb-formula> <moldb-inchi>InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)</moldb-inchi> <moldb-inchikey>ZMJGSOSNSPKHNH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">248.173</moldb-average-mass> <moldb-mono-mass type="decimal">248.056208048</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-2.2</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>1024</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>CHEM019281</chemdb-id> <dsstox-id>DTXSID3046825</dsstox-id> <toxcast-id>46825</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00014914</susdat-id> <iupac>{[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methoxy}phosphonic acid</iupac> <moldb-polar-surface-area>125.9</moldb-polar-surface-area> <moldb-refractivity>56.63570000000001</moldb-refractivity> <moldb-polarizability>22.149163667314372</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>6</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>1.7417589844386874</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>9.905510964077699</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>-0.99</moldb-alogps-logp> <moldb-alogps-logs>-1.57</moldb-alogps-logs> <moldb-alogps-solubility>6.61e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Pyridines and derivatives</klass> <subklass>Pyridoxamines</subklass> <paper-count type="integer">276</paper-count> <sync-id>CED0011344</sync-id> <structure-inchikey>ZMJGSOSNSPKHNH-UHFFFAOYSA-N</structure-inchikey> 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type="dateTime">2026-09-19T04:08:06Z</structure-indexed-at> </compound>