{
  "id": 4618,
  "name": "linolenic acid",
  "cas_reg_no": "463-40-1",
  "smiles": "CC\\C=C/C\\C=C/C\\C=C/CCCCCCCC(O)=O",
  "inchikey": "DTOSIQBPPRVQHS-PDBXOOCHSA-N",
  "inchi": "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-",
  "formula": "C18H30O2",
  "molweight": 278.436,
  "xrefs": [
    {
      "xref_type": "VUID",
      "xref": "4020239"
    },
    {
      "xref_type": "NUI",
      "xref": "N0000148143"
    },
    {
      "xref_type": "VANDF",
      "xref": "4020239"
    },
    {
      "xref_type": "UMLSCUI",
      "xref": "C0051405"
    },
    {
      "xref_type": "CHEBI",
      "xref": "CHEBI:27432"
    },
    {
      "xref_type": "PDB_CHEM_ID",
      "xref": "LNL"
    },
    {
      "xref_type": "ChEMBL_ID",
      "xref": "CHEMBL8739"
    },
    {
      "xref_type": "DRUGBANK_ID",
      "xref": "DB00132"
    },
    {
      "xref_type": "MESH_DESCRIPTOR_UI",
      "xref": "D017962"
    },
    {
      "xref_type": "PUBCHEM_CID",
      "xref": "5280934"
    },
    {
      "xref_type": "UNII",
      "xref": "0RBV727H71"
    },
    {
      "xref_type": "RXNORM",
      "xref": "52071"
    },
    {
      "xref_type": "NDDF",
      "xref": "009723"
    },
    {
      "xref_type": "SNOMEDCT_US",
      "xref": "81868000"
    }
  ],
  "synonyms": [
    "alpha-Linolenic acid",
    "linolenate",
    "linolenic acid"
  ],
  "targets": [
    {
      "target_id": 66,
      "target_name": "Prostaglandin G/H synthase 1",
      "gene": "PTGS1",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "Ki",
      "act_comment": "Inhibition of COX-1 (unknown origin) using arachidonic acid as substrate assessed as formation of prostanoid products preincubated for 10 mins prior to substrate addition measured after 2 mins by Ellman's method",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 325,
      "target_name": "Aromatase",
      "gene": "CYP19A1",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "IC50",
      "act_comment": "Inhibition of aromatase in human placental microsomes by radiometric method",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 371,
      "target_name": "Peroxisome proliferator-activated receptor alpha",
      "gene": "PPARA",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "Kd",
      "act_comment": "Binding affinity to PPAR-alpha (unknown origin) by fluorescence-based assay",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 395,
      "target_name": "Peroxisome proliferator-activated receptor gamma",
      "gene": "PPARG",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "Kd",
      "act_comment": "Binding affinity to PPARgamma",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 722,
      "target_name": "Fatty acid-binding protein, heart",
      "gene": "FABP3",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "Kd",
      "act_comment": "Binding affinity to human FABP3 expressed in Escherichia coli BL21 (DE3) in DMPC liposomes by surface plasmon resonance analysis",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 771,
      "target_name": "Peroxisome proliferator-activated receptor delta",
      "gene": "PPARD",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "IC50",
      "act_comment": "Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 1940,
      "target_name": "Tissue factor",
      "gene": "F3",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "IC50",
      "act_comment": "Inhibition of amidolytic activity of human tissue factor/human factor 7a",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 1969,
      "target_name": "Prostaglandin G/H synthase 2",
      "gene": "PTGS2",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "IC50",
      "act_comment": "Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    },
    {
      "target_id": 2076,
      "target_name": "Prostaglandin G/H synthase 1",
      "gene": "PTGS1",
      "action_type": null,
      "act_source": "CHEMBL",
      "act_type": "IC50",
      "act_comment": "Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid",
      "relation": "=",
      "moa": null,
      "moa_source": null,
      "moa_source_url": null,
      "ref_pmid": null,
      "ref_doi": null,
      "ref_title": null,
      "ref_year": null
    }
  ]
}