Consensus flow list

Oleic Acid

fo-dbc386a63411db2f

Identity

Type
Neutral molecule
CAS
112-80-1
EC
204-007-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Oleic Acid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

63

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZQPPMHVWECSIRJ-KTKRTIGZSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCC(=O)O
IUPAC name chemrof:IUPAC_name Oleic Acid
Molecular formula chemrof:molecular_formula C18H34O2
Molecular mass chemrof:molecular_mass 282.468
Monoisotopic mass chemrof:monoisotopic_mass 282.25588
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCC(=O)O

Known URLs

53

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=112-80-1 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=28325-80-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=29857-65-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=7049-68-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=99148-48-8 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16196 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.643 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.098.995 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1005 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1025809 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB04224 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB04224 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3400 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3400 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9856 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL8659 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB21348 enrich_references.chebi_xrefs
femaflavor.org https://www.femaflavor.org/flavor-library/oleic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:109551 enrich_references.chebi_xrefs
gmelin gmelin:57556 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2UMI9U37CP enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000207 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=3823.12.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.460K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00712 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D02315 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00712 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D02315 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001232 enrich_references.chebi_xrefs
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01030002 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01030002 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=437 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C68405 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:OLA enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/44KS49R58Z5P enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL8659 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/445639 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017614 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11304127 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15325315 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15723125 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18772370 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19761868 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23844805 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24819471 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25584012 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25794012 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5332408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6205897 enrich_references.chebi_xrefs
reaxys reaxys:1726542 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/7631 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q207688 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oleic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4aa47e56-5d1c-4732-8989-49517a91493b Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5b6d3377-65af-4853-a031-cdb6bd4e94cb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
08f1f61d-d2a9-4f76-a04a-0c2aa48eee81 Environmental → Air → Indoor EF 3.1 kg 2
575d889e-3ebc-43c2-9ab0-7f023a27c1d1 Environmental → Air → Long-term EF 3.1 kg 0
7ecd632d-2335-4dac-9317-1bfd6b5202f9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2c27ec62-4e87-4c48-9954-ea636ec30c88 Environmental → Air → Unknown EF 3.1 kg 2
249b0f96-6588-4d76-bc42-602405c798a9 Environmental → Ground → Agricultural EF 3.1 kg 2
5ebc1652-4050-4c7a-a51f-866e2e5e898c Environmental → Ground → Non-agricultural EF 3.1 kg 2
58547adf-de72-473c-bc6d-a2105367f790 Environmental → Ground → Unknown EF 3.1 kg 2
a2286326-d403-4d4d-9b00-e7333fa2ea16 Environmental → Water → Long-term EF 3.1 kg 0
bde9ddf4-3b61-4867-bdb2-79be16608983 Environmental → Water → Ocean EF 3.1 kg 2
4d156b5f-d68f-4e6f-a882-598b7c5a5dfc Environmental → Water → Surface water EF 3.1 kg 2
cb5c8376-9f71-4160-9106-56333dd0e99b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-dbc386a63411db2f",
  "prefLabel": [
    {
      "@value": "Oleic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(18,9-Olefin) oleic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(9Z)-9-Octadecenoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(9Z)-octadec-9-enoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(9Z)-Octadecenoic acid",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(Z)-Octadec-9-enoic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "18:1 n-9",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "18:1Delta9cis",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "9-cis-Octadecenoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9-Octadecenoic acid (9Z)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9-Octadecenoic acid (Z)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9-Octadecenoic acid, (Z)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9Z-Octadecenoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "AltaVeg D 600",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C18:1",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C18:1 n-9",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_16196"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "C18:1n9c",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "cis-9-octadecenoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16196"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cis-Delta(9)-octadecenoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16196"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cis-oleic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_16196"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "cis-Δ9-Octadecenoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Clear FRAC EF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crodacid O-P",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Crossential O 94",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CU-A",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CU-A (fatty acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Edenor ATiO5",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Edenor C 18:1-98-100",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Edenor FTiO5",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emersol 213NF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emersol 214NF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:112-80-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=112-80-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Emersol 6313NF",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    {
      "@value": "An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry.",
      "@language": "en",
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  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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