Consensus flow list

Identity

Type
Neutral molecule
CAS
1846-70-4
EC
691-513-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-nonynoic Acid

Alternative labels

1

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZAWLBSATNLQTON-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h2-6H2,1H3,(H,10,11)
IUPAC name chemrof:IUPAC_name 2-nonynoic Acid
Molecular formula chemrof:molecular_formula C9H14O2
Molecular mass chemrof:molecular_mass 154.209
Monoisotopic mass chemrof:monoisotopic_mass 154.09938
SMILES string chemrof:smiles_string CCCCCCC#CC(=O)O

Known URLs

12

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=1846-70-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:180448 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.219.191 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.67186.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1075143 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=75864 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J110.800J enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01030504 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01030504 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=914 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/74611 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82003173 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
77658d3a-f104-4801-9c03-3bfbcd65c619 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
0085014a-bea3-41a8-986b-72d528f76030 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c53e78d3-776b-4e18-b66a-cb2013fc844a Environmental → Air → Indoor EF 3.1 kg 2
2dfa93ed-fb26-48f6-8536-43d1bfd311b7 Environmental → Air → Long-term EF 3.1 kg 0
66f90ed6-2ff4-4ea8-9267-b6865f68dc22 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
822a7ad1-fae3-4b1d-90fe-e6e6bee2dae2 Environmental → Air → Unknown EF 3.1 kg 2
c363a605-9453-4363-9bf2-29534125862c Environmental → Ground → Agricultural EF 3.1 kg 2
6c0ea6ff-d5a8-4f1c-acb7-bd7fc5825fcc Environmental → Ground → Non-agricultural EF 3.1 kg 2
840e7db1-c5c6-448d-b122-8417c366f35a Environmental → Ground → Unknown EF 3.1 kg 2
4a666ae0-8da9-49b2-a262-9ce589332ef7 Environmental → Water → Long-term EF 3.1 kg 0
93b2161f-8801-4b50-9a23-cb3bd18a55ff Environmental → Water → Ocean EF 3.1 kg 2
af393b93-bc29-497f-8b5f-61a6350b405d Environmental → Water → Surface water EF 3.1 kg 2
4404d710-15d9-44f9-bd78-73d39301e4b1 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3221456cdae327f7",
  "prefLabel": [
    {
      "@value": "2-nonynoic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "non-2-ynoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_180448"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C9H14O2"
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      "attested_by": {
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        },
        {
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      "attested_by": {
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}

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