<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4426</id>
  <title>T3D4372</title>
  <common-name>Hawkinsin</common-name>
  <description>Hawkinsin is an endogenous compound with the formula C11H17NO6S and an average molecular weight of 291.32 g/mol. It exists as a solid at room temperature. Hawkinsin belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It is identified as (2-l-cystein-S-yl, 4-dihydroxycyclohex-5-en-1-yl)acetic acid. Patients with hawkinsinuria excrete this metabolite in their urine throughout their life, although tyrosinemia and metabolic acidosis symptoms improve in the first year of life. Hawkinsinuria and tyrosinemia type III are causally related to alterations in the structure and activity of 4-hydroxyphenylpyruvic acid dioxygenase. It is found in or released from Electrical &amp; Electronic Equipment (Television Systems).</description>
  <cas>63224-90-8</cas>
  <pubchem-id>173909</pubchem-id>
  <chemical-formula>C11H17NO6S</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Chronically high levels of hawkinsin are associated with Hawkinsinuria.</health-effects>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:36:15Z</created-at>
  <updated-at type="dateTime">2026-04-06T13:07:43Z</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 nil="true"/>
  <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(CSC1CC(O)C=CC1(O)CC(O)=O)C(O)=O</moldb-smiles>
  <moldb-formula>C11H17NO6S</moldb-formula>
  <moldb-inchi>InChI=1S/C11H17NO6S/c12-7(10(16)17)5-19-8-3-6(13)1-2-11(8,18)4-9(14)15/h1-2,6-8,13,18H,3-5,12H2,(H,14,15)(H,16,17)</moldb-inchi>
  <moldb-inchikey>SPXVLTDISXZSFM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">291.321</moldb-average-mass>
  <moldb-mono-mass type="decimal">291.077657971</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB02354</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>151775</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>CHEM003332</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00125392</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>141.08</moldb-polar-surface-area>
  <moldb-refractivity>68.53380000000001</moldb-refractivity>
  <moldb-polarizability>27.82939123320438</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>7</moldb-acceptor-count>
  <moldb-donor-count>5</moldb-donor-count>
  <moldb-pka-strongest-acidic>1.93942479227327</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.13420766816257</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>-3.19</moldb-alogps-logp>
  <moldb-alogps-logs>-1.41</moldb-alogps-logs>
  <moldb-alogps-solubility>1.14e+01 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">17</paper-count>
  <sync-id>CED0029863</sync-id>
  <structure-inchikey>SPXVLTDISXZSFM-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T04:01:15Z</structure-indexed-at>
</compound>
