Consensus flow list

Ammonium Octadec-9-enoate

fo-e87ab5bb747aec48

Identity

Type
Chemical salt
CAS
544-60-5
EC
208-873-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Ammonium Octadec-9-enoate

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

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string WFXRJNDIBXZNJK-KVVVOXFISA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H34O2.H3N/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);1H3/b10-9-;
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[NH4+]
IUPAC name chemrof:IUPAC_name Ammonium oleate
Molecular formula chemrof:molecular_formula C18H37NO2
Molecular mass chemrof:molecular_mass 299.499
Monoisotopic mass chemrof:monoisotopic_mass 299.282429
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCC(=O)[O-].[NH4+]

Known URLs

8

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=544-60-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.067 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50878372 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/EH7L6J9LHN enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/51051623 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6435897 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q25473556 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ammonium_oleate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7b1a0534-3d67-486c-a337-2f796963f372 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f486f26c-3b7d-485a-84f0-f7a997370f9b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
6823988d-7470-4b2d-af66-0f87a76d0500 Environmental → Air → Indoor EF 3.1 kg 2
fb15004a-7295-4918-9688-7f728c3d8621 Environmental → Air → Long-term EF 3.1 kg 0
07504d1c-adaf-4083-8359-23d5c8c76838 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
65ec8bb9-4858-40db-a8b0-61969f5ba77f Environmental → Air → Unknown EF 3.1 kg 2
264c43eb-e712-4a5b-a949-09a101cf5589 Environmental → Ground → Agricultural EF 3.1 kg 2
86812498-92b0-4062-97ae-485be54589e8 Environmental → Ground → Non-agricultural EF 3.1 kg 2
a831f05c-28c5-4652-b38b-bae61e96216f Environmental → Ground → Unknown EF 3.1 kg 2
7b7fdc96-dda4-42d8-91ea-b0db2b360dc1 Environmental → Water → Long-term EF 3.1 kg 0
438c2dd0-e6e8-4a89-b7f0-f2ec4868abaa Environmental → Water → Ocean EF 3.1 kg 2
86b181dd-d705-4529-84d5-3b31206981bc Environmental → Water → Surface water EF 3.1 kg 2
346924a5-b55f-4a23-8f60-f6cef94d3184 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-e87ab5bb747aec48",
  "prefLabel": [
    {
      "@value": "Ammonium Octadec-9-enoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "9-Octadecenoic acid (9Z)-, ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9-Octadecenoic acid (9Z)-, ammonium salt (1:1)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "9-Octadecenoic acid (Z)-, ammonium salt",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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    },
    {
      "@value": "Ammonia soap",
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    },
    {
      "@value": "Ammonium oleate",
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    },
    {
      "@value": "Oleic acid, ammonium salt",
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}

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