<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">347359</id>
  <title nil="true"/>
  <common-name>2-[4-[3-(16-methylheptadecanoylamino)propyl]morpholin-3-yl]acetic acid</common-name>
  <description>2-[4-[3-(16-methylheptadecanoylamino)propyl]morpholin-3-yl]acetic acid is a chemical compound with the formula C27H52N2O4. It has an average molecular weight of 468.70 g/mol.</description>
  <cas>247214-39-7</cas>
  <pubchem-id>129628036</pubchem-id>
  <chemical-formula>C27H52N2O4</chemical-formula>
  <weight>468.7</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">2026-08-31T11:05:54Z</created-at>
  <updated-at type="dateTime">2026-08-31T11:05:54Z</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>CC(C)CCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1CC(=O)O</moldb-smiles>
  <moldb-formula>C27H52N2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C27H52N2O4/c1-24(2)16-13-11-9-7-5-3-4-6-8-10-12-14-17-26(30)28-18-15-19-29-20-21-33-23-25(29)22-27(31)32/h24-25H,3-23H2,1-2H3,(H,28,30)(H,31,32)</moldb-inchi>
  <moldb-inchikey>BWUQLWIBVAZYMO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">468.3927081</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>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>CHEM343252</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-[4-[3-(16-methylheptadecanoylamino)propyl]morpholin-3-yl]acetic 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>Organoheterocyclic compounds</superklass>
  <klass>Oxazinanes</klass>
  <subklass>Morpholines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0297703</sync-id>
  <structure-inchikey>BWUQLWIBVAZYMO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000004000000000800000000000000000000000000004000000000000000000001000000000000000000000000004000200020000000000000000000000001000000000000000000408000000000020801000000000000008001000000000000000010000000000000000000000000000020100020000000000000800100000000040000000000000000000014080000000000000000000000000001000100000000000000000000002000000000000000060000000008000000000000000008008000004000000000000000000000000000000020000402000000000000000000100000100080008000000010410000000008000000000000022000000</structure-fingerprint>
  <structure-pattern-fingerprint>400000200512060089001100012820000000040001052000003400400200080c40020050008000000000410000800000046002a5808c30210204643000a04000c6110400028004004080102000720100000401804001003240000422000009000c20012e004002000000100055340004200080500105e1043118024002118002104400180ee0800808020250882c0008311c0812444014021004082020400080005310000090c00000000960056c35100ac00000884108401000081000400210001000840408003201800604004102900800002002004000094010000801020000004810088100001040000040022000105000308042002e0000048050000006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���!���€���`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������h��������`�������`�������`������� ������`�������`������� ������`�������`�������`�������(�������(�������h��������������������������������	�	
�
��������������������(��� �����������������������������������(��  ���B���������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:45:54Z</structure-indexed-at>
</compound>
