<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4366</id>
  <title>T3D4312</title>
  <common-name>Carnosine</common-name>
  <description>Carnosine (beta-alanyl-L-histidine) is found exclusively in animal tissues. It is a dipeptide of the amino acids beta-alanine and histidine. Carnosine has the potential to suppress many of the biochemical changes (e.g., protein oxidation, glycation, AGE formation, and cross-linking) that accompany aging and associated pathologies  It is highly concentrated in muscle and brain tissues. Some autistics patients take it as a dietary supplement, and attribute an improvement in their condition to it. Supplemental carnosine may increase corticosterone levels. This may explain the hyperactivity seen in autistic subjects at higher doses. Carnosine also exhibits some antioxidant effects. The antioxidant mechanism of carnosine is attributed to its chelating effect against metal ions, superoxide dismutase (SOD)-like activity, ROS and free radicals scavenging ability  (A3405, A3406).</description>
  <cas>305-84-0</cas>
  <pubchem-id>439224</pubchem-id>
  <chemical-formula>C9H14N4O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>253 - 256°C</melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility>384 mg/mL</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 nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:19:04Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:11:45Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Carnosine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00386</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>15727</chebi-id>
  <biocyc-id>CARNOSINE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB11695</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>NCCC(=O)N[C@@H](CC1=CN=CN1)C(O)=O</moldb-smiles>
  <moldb-formula>C9H14N4O3</moldb-formula>
  <moldb-inchi>InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1</moldb-inchi>
  <moldb-inchikey>CQOVPNPJLQNMDC-ZETCQYMHSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">226.2325</moldb-average-mass>
  <moldb-mono-mass type="decimal">226.106590334</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>-4.5</logp>
  <hmdb-id>HMDB00033</hmdb-id>
  <chembl-id>CHEMBL242948</chembl-id>
  <chemspider-id>388363</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> Vezenkov, L.; Yanachkov, O. Synthesis of carnosine by trimethylsilyl protection. Dokladi na Bulgarskata Akademiya na Naukite (1991), 44(8), 53-6</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003272</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>(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-5-yl)propanoic acid</iupac>
  <moldb-polar-surface-area>121.1</moldb-polar-surface-area>
  <moldb-refractivity>55.56190000000001</moldb-refractivity>
  <moldb-polarizability>22.36612322974625</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>5</moldb-acceptor-count>
  <moldb-donor-count>4</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.371243802200665</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>9.12598191586239</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>-2.96</moldb-alogps-logp>
  <moldb-alogps-logs>-1.31</moldb-alogps-logs>
  <moldb-alogps-solubility>1.11e+01 g/l</moldb-alogps-solubility>
</compound>
