<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">281660</id>
  <title nil="true"/>
  <common-name>2-ethyl-5-(6-hydroxy-2,4-dioxo-1h-pyrimidin-5-yl)pentanoic acid</common-name>
  <description>2-ethyl-5-(6-hydroxy-2,4-dioxo-1h-pyrimidin-5-yl)pentanoic acid belongs to the fatty acids and conjugates, a subclass of fatty acyls within the organic compounds. This compound has the chemical formula C11H16N2O5 and an average molecular weight of 256.25 g/mol. It is further classified under the superclass of lipids and lipid-like molecules.</description>
  <cas>882046-90-4</cas>
  <pubchem-id>13005132</pubchem-id>
  <chemical-formula>C11H16N2O5</chemical-formula>
  <weight>256.25</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">2026-08-27T17:01:00Z</created-at>
  <updated-at type="dateTime">2026-08-27T17:01:00Z</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>CCC(CCCC1=C(NC(=O)NC1=O)O)C(=O)O</moldb-smiles>
  <moldb-formula>C11H16N2O5</moldb-formula>
  <moldb-inchi>InChI=1S/C11H16N2O5/c1-2-6(10(16)17)4-3-5-7-8(14)12-11(18)13-9(7)15/h6H,2-5H2,1H3,(H,16,17)(H3,12,13,14,15,18)</moldb-inchi>
  <moldb-inchikey>SKQJJNVLRHAHTK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">256.1059216</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM277553</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>2-ethyl-5-(6-hydroxy-2,4-dioxo-1h-pyrimidin-5-yl)pentanoic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty acids and conjugates</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0233618</sync-id>
  <structure-inchikey>SKQJJNVLRHAHTK-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000900000000000000800000000000000000000000000000000000000000001000000002000020000000000000000024800000080000000000000000000000000000000000000000000000000000000020000000000000000000001002000080000000010000000000000000000000000000000000000020000000000000000000080040000000000000200000000000000000000000000000001000000000000000000000000000000000080000000000000000000000000000000000000000800000000000002000000000000000000000000000002000004000000000000000000000000800000004000000010400008000000400000100080000002000</structure-fingerprint>
  <structure-pattern-fingerprint>500000200102060088000000014820000100048001052000003629400200004c400200110080000000084108008000000c2140a4008c30010000e43000a1c000c419040002005600009010200062030000000590d020103240000422000009000c280406006002000001000044340001200280300005e0441108080002110002004400080c40020808000200880c0008113e00d24440178a0404080000400080004300000010c00000030848016c211002c02000894108401400260008400210010100840400021241800000040102c005040000021050004d000200080001000010091000010000000000100112200000100010804400020000000052000000</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`�������`������@(������@(������@8�������@(�������(������@8�������@(�������(�������h��������(�������(�������h���������������������������h���h��	h�	
(�	�h���h��(��� �����(��� ��h�B��������	������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:56:39Z</structure-indexed-at>
</compound>
