<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">357226</id>
  <title nil="true"/>
  <common-name>[(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate</common-name>
  <description>[(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate is a chemical compound with the formula C46H80NO10P. With an average molecular weight of 838.10 g/mol, [(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>131770209</pubchem-id>
  <chemical-formula>C46H80NO10P</chemical-formula>
  <weight>838.1</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">2026-09-01T04:15:31Z</created-at>
  <updated-at type="dateTime">2026-09-01T04:15:31Z</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>CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)C</moldb-smiles>
  <moldb-formula>C46H80NO10P</moldb-formula>
  <moldb-inchi>InChI=1S/C46H80NO10P/c1-6-8-21-27-40-34-37(3)42(55-40)28-22-17-13-11-9-10-12-14-19-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-20-16-15-18-23-29-44-39(5)38(4)43(57-44)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1</moldb-inchi>
  <moldb-inchikey>JBYSNRAENDGASA-VQJSHJPSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">837.5519848</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>10.1</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>CHEM353119</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>[(2r)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate</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>Glycerophospholipids</klass>
  <subklass>Glycerophosphoethanolamines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0307474</sync-id>
  <structure-inchikey>JBYSNRAENDGASA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40040000000000000400800000000204000010000000000080000000000000080000000002000000000000000000000000000000000000000000000002000000100000000000000000010000000000000020800004000100000000420000008004000020011000000000000000300000800000000000008000000c01000000000000000040000200000000000000010000001000800400002000001000001000000000000008000000000000082101000000000048000000000000000000000000000208000208000800100000000000000000000000082200000000000000000000000000028000000040000004010400020000000000000000200004000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������:���;���€���`�������`�������`�������`�������`������@(������@h�������@(������@(������@(�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������`�������(�������(�������(�������`�������`�������`������� ������ ������(�������`������� ������`�������`�������`�������(�������(�������(�������`�������`�������`�������`�������`�������`�������`�������`������@(������@(������@(������@(������@(�������`�������`�������`�������`�������`�������`�����������������������h���h���h��	h��
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  <structure-indexed-at type="dateTime">2026-09-19T05:54:59Z</structure-indexed-at>
</compound>
