<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4521</id>
  <title>T3D4467</title>
  <common-name>Chitin</common-name>
  <description>Chitin is an unusual substance as it is a naturally occurring polymer. Its breakdown is conducted by bacteria which have receptors to simple sugars from the decomposition of chitin. If chitin is detected they then produce enzymes to digest the chitin by reducing it to simple sugars and ammonia. Chitin (IPA: [Kaitin]) is one of the main components in the cell walls of fungi, the exoskeletons of insects and other arthropods, and in some other animals. It is a polysaccharide; it is constructed from units of acetylglucosamine (more completely, N-acetyl-D-glucos-2-amine). These are linked together in beta-1,4 fashion (in a similar manner to the glucose units which form cellulose). In effect chitin may be described as cellulose with one hydroxyl group on each monomer replaced by an acetylamine group. This allows for increased hydrogen bonding between adjacent polymers, giving the polymer increased strength. A linear polysaccharide of beta-1-&gt;4 linked units of acetylglucosamine. It is the second most abundant biopolymer on earth, found especially in insects and fungi. When deacetylated it is called chitosan.</description>
  <cas>1398-61-4</cas>
  <pubchem-id>21252321</pubchem-id>
  <chemical-formula>C28H49N3O16</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>If chitin is detected they then produce enzymes to digest the chitin by reducing it to simple sugars and ammonia. It is the second most abundant biopolymer on earth, found especially in insects and fungi.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:34Z</created-at>
  <updated-at type="dateTime">2026-04-14T20:07:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Chitin</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00461</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>17029</chebi-id>
  <biocyc-id>14-N-ACETYL-BETA-D-GLUCOSAMINYLN1</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB15142</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>CC(=O)NC1[C@H](O)OC(CO)[C@@H](COC[C@@H]2OC(CO)[C@@H](COC[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3NC(C)=O)[C@H](O)C2NC(C)=O)[C@@H]1O</moldb-smiles>
  <moldb-formula>C28H49N3O16</moldb-formula>
  <moldb-inchi>InChI=1S/C28H49N3O16/c1-11(35)29-21-19(9-44-8-15-17(5-33)47-28(42)23(25(15)39)31-13(3)37)45-16(4-32)14(24(21)38)7-43-10-20-22(30-12(2)36)27(41)26(40)18(6-34)46-20/h14-28,32-34,38-42H,4-10H2,1-3H3,(H,29,35)(H,30,36)(H,31,37)/t14-,15-,16?,17?,18?,19+,20+,21?,22?,23?,24+,25+,26-,27-,28-/m1/s1</moldb-inchi>
  <moldb-inchikey>DJHJJVWPFGHIPH-OODMECLYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">683.6992</moldb-average-mass>
  <moldb-mono-mass type="decimal">683.311282535</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB03362</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>399508</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>Kurita, Keisuke; Koyama, Yoshiyuki; Nishimura, Shinichiro; Kamiya, Mami. Facile preparation of water-soluble chitin from chitosan. Chemistry Letters (1989), (9), 1597-8.</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003427</chemdb-id>
  <dsstox-id>DTXSID6037641</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00044179</susdat-id>
  <iupac nil="true"/>
</compound>
