<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">309926</id>
  <title nil="true"/>
  <common-name>2-[hydroxy-[(2r)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium</common-name>
  <description>2-[hydroxy-[(2r)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium is a compound with the formula C17H35NO8P+. It has an average molecular weight of 412.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>145864750</pubchem-id>
  <chemical-formula>C17H35NO8P+</chemical-formula>
  <weight>412.4</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">2026-08-29T04:39:19Z</created-at>
  <updated-at type="dateTime">2026-08-29T04:39:19Z</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>C[N+](C)(C)CCOP(=O)(O)OCC(CO)OC(=O)CCCCCCCC=O</moldb-smiles>
  <moldb-formula>C17H35NO8P+</moldb-formula>
  <moldb-inchi>InChI=1S/C17H34NO8P/c1-18(2,3)11-13-24-27(22,23)25-15-16(14-20)26-17(21)10-8-6-4-5-7-9-12-19/h12,16,20H,4-11,13-15H2,1-3H3/p+1/t16-/m1/s1</moldb-inchi>
  <moldb-inchikey>ZOTBEPCAAHROHR-MRXNPFEDSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">412.2100291</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0</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>CHEM305819</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-[hydroxy-[(2r)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium</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 nil="true"/>
  <superklass nil="true"/>
  <klass nil="true"/>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0260911</sync-id>
  <structure-inchikey>ZOTBEPCAAHROHR-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>400400000000000004008000000002040000000000000000800000020000000000000000000000010000000000000000000040020000000000000000220000000000000000000000100000000000080000200000000003000000000000000000000000000110000000000000002000008000400000000000000008000008000000200000400000000000000000000100000000000000000000000000008010000000000000000000000080000020010000000000c0000000000000000000000000000208000080800000100000000000000000000000080000000000000000000000000000020200000000000000010400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>5000002001120e0089000100010820000000040000052000003000408220084c4402005001800000000041000080000006200085008c10010000643100a04000c6110400008007000090106000720900000404804021083240000422400009200c2001220048020040000000d5b40000208080500105e0041118000002100002504400080ee0800808020240882c0008111c08124440140200040b0000408080024310000010c00000000840016d25100ac00000880108001000021000400202ac1000a4048000221080000024010280000000000200400009003000080002008000481000000000000000010012208400100030c042800c0000010050000002</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAbAAAAGgAAAIABBgBgAAAAAQMHICIAAAAB
BAYAYAAAAAEDBgBgAAAAAQMGAGAAAAACAgYAYAAAAAICCAAgAAAAAg8AIAAA
AAUIACgAAAADAggAYAAAAAEBCAAgAAAAAgYAYAAAAAICBgBgAAAAAwEGAGAA
AAACAggAYAAAAAEBCAAoAAAAAwIGACgAAAADBAgAKAAAAAMCBgBgAAAAAgIG
AGAAAAACAgYAYAAAAAICBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBgBgAAAA
AgIGAGgAAAADAwEIACgAAAADAgsAAQABAgABAwABBAAEBQAFBgAGBwAHCAgC
BwkABwoACgsACwwADA0ADQ4ADA8ADxAgEBEoAhASABITABMUABQVABUWABYX
ABcYABgZABkaCAJCAAAAABcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:28Z</structure-indexed-at>
</compound>
