<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">7436</id>
  <title nil="true"/>
  <common-name>LIPASE</common-name>
  <description>LIPASE is an organic compound with the chemical formula C22H35NO4 and an average molecular weight of 377.52 g/mol. LIPASE belongs to the phenol esters, a class of benzenoids within the organic compounds.

In industrial applications, this compound serves several roles and uses. It is utilized as a cleaning agent and a chemical reaction regulator. Additionally, it functions as a softener and conditioner, as well as a flavouring and nutrient. It is also employed as a processing aid not otherwise specified.</description>
  <cas>9001-62-1</cas>
  <pubchem-id>73891</pubchem-id>
  <chemical-formula>C22H35NO4</chemical-formula>
  <weight>238.2</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">2016-05-19T02:12:32Z</created-at>
  <updated-at type="dateTime">2026-08-21T23:08:27Z</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>DB13147</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>CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(=O)=O</moldb-smiles>
  <moldb-formula>C22H35NO4</moldb-formula>
  <moldb-inchi>InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3</moldb-inchi>
  <moldb-inchikey>LVZSQWIWCANHPF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">377.525</moldb-average-mass>
  <moldb-mono-mass type="decimal">377.256608611</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>66524</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>CHEM006331</chemdb-id>
  <dsstox-id>DTXSID20164193</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00024884</susdat-id>
  <iupac>(4-nitrophenyl) hexadecanoate</iupac>
  <moldb-polar-surface-area>72.12</moldb-polar-surface-area>
  <moldb-refractivity>108.95499999999998</moldb-refractivity>
  <moldb-polarizability>46.1224652197772</moldb-polarizability>
  <moldb-rotatable-bond-count>17</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-7.180461259171283</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>8.15</moldb-alogps-logp>
  <moldb-alogps-logs>-7.00</moldb-alogps-logs>
  <moldb-alogps-solubility>3.77e-05 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Phenol esters</klass>
  <subklass nil="true"/>
  <paper-count type="integer">56379</paper-count>
  <sync-id>CED0000787</sync-id>
  <structure-inchikey>LVZSQWIWCANHPF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>80000000000000000000000000000000000000000000000000000200000020000000000000000000000000000000000000000000000000000000000000000001000000000000002000000000010000120000000040004000002001000000020000000000000000000000000000000000000000000400000200004000000000000000000001000000000000100000000000000000102000000000000000000000000008200100000000000a000000000000000000000000000008000000000000000000000000000000000000000040000200000000000000420000000000000040000000010400000000001000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>4030002009320e0009000100010820000000000000052000003000700200000c40020010008000000000410000800000046000a4008c30010000643000a00000c6110400028002400080102000720100000401004001003240000422000209400c200504004082090000000045340003a00080500105e0047118000002110002104400080ee0800808020240882c0008111c8812444014020004880000408000004330001010c00000001840017c25100ac00000884108401000000000400210000000840440202201810000000103800000000002004000090080000800030000000800000000000000000200022000001000308042000e0008000050000400</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAGwAAAIABBgBgAAAAAQMGAGAAAAAC
AgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAA
AAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAAAgIG
AGAAAAACAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAKAAAAAMCBkAoAAAA
AwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMD
AQcAKgAAAAEDBAgAKgAAAP8DAQgAKAAAAAMCCwABAAECAAIDAAMEAAQFAAUG
AAYHAAcIAAgJAAkKAAoLAAsMAAwNAA0OAA4PAA8QKAIPESAREiASE2gMExRo
DBQVaAwVFmgMFhdoDBUYIBgZIBgaKAIXEmgMQgEAAAAGEhcWFRQTFwQAAAAA
AAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:02:53Z</structure-indexed-at>
</compound>
