<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">297818</id>
  <title nil="true"/>
  <common-name>3-[carboxymethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl-dimethyl-(3-sulfopropyl)azanium</common-name>
  <description>3-[carboxymethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl-dimethyl-(3-sulfopropyl)azanium belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 615.50 g/mol, 3-[carboxymethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl-dimethyl-(3-sulfopropyl)azanium is a heavy molecule. Its chemical formula is C15H22F11N2O7S2+.</description>
  <cas nil="true"/>
  <pubchem-id>139596035</pubchem-id>
  <chemical-formula>C15H22F11N2O7S2+</chemical-formula>
  <weight>615.5</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">2026-08-28T14:06:32Z</created-at>
  <updated-at type="dateTime">2026-08-28T14:06:32Z</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)(CCCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCS(=O)(=O)O</moldb-smiles>
  <moldb-formula>C15H22F11N2O7S2+</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21F11N2O7S2/c1-28(2,7-4-8-36(31,32)33)6-3-5-27(9-10(29)30)37(34,35)15(25,26)13(20,21)11(16,17)12(18,19)14(22,23)24/h3-9H2,1-2H3,(H-,29,30,31,32,33)/p+1</moldb-inchi>
  <moldb-inchikey>MEMWBAFWGGFXDJ-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">615.0692782</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.7</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>CHEM293711</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>3-[carboxymethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]propyl-dimethyl-(3-sulfopropyl)azanium</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0249191</sync-id>
  <structure-inchikey>MEMWBAFWGGFXDJ-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>20000100000800000002000000000000000000000000000000000000000000000000000000000020000000004000002000000000000000040000000000000100000000000008004000008004020000000000000000000000000000000000000010000010000000000004200000048000000200000080000000000000000000040080000404000000000000000000000020200000000000000000000000000000000800000000000000002840010000000040000080000000000000000000000000000000000000008000000008000000000000000400000000000000000000000000100000000000000010400800001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAlAAAAJAAAAIABBgBgAAAAAQMHICIAAAAB
BAYAYAAAAAEDBgBgAAAAAgIGAGAAAAACAgYAYAAAAAICBwAgAAAAAwYAYAAA
AAICBgAoAAAAAwQIACgAAAADAggAaAAAAAMBARAAIAAAAAYIACgAAAADAggA
KAAAAAMCBgAgAAAABAYAIAAAAAQGACAAAAAEBgAgAAAABAYAIAAAAAQJACAA
AAABCQAgAAAAAQkAIAAAAAEJACAAAAABCQAgAAAAAQkAIAAAAAEJACAAAAAB
CQAgAAAAAQkAIAAAAAEJACAAAAABCQAgAAAAAQYAYAAAAAICBgBgAAAAAgIG
AGAAAAACAhAAIAAAAAYIACgAAAADAggAKAAAAAMCCABgAAAAAQELAAEAAQIA
AQMAAwQABAUABQYABgcABwgACAkoAggKIAYLAAsMCAILDQgCCw4ADg8ADxAA
EBEAERIAEhMAEhQAEhUAERYAERcAEBgAEBkADxoADxsADhwADh0AAR4AHh8A
HyAAICEAISIIAiEjCAIhJABCAAAAABcEAAAAAAAAABY=
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:08:35Z</structure-indexed-at>
</compound>
