Brightway Flows 1.0
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Pent-4-enoic Acid

fo-d11aa9bd70382053

Identity

Type
Neutral molecule
CAS
591-80-0
EC
209-732-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Pent-4-enoic Acid

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HVAMZGADVCBITI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)
IUPAC name chemrof:IUPAC_name Pent-4-enoic Acid
Molecular formula chemrof:molecular_formula C5H8O2
Molecular mass chemrof:molecular_mass 100.117
Monoisotopic mass chemrof:monoisotopic_mass 100.052429, 100.05243
SMILES string chemrof:smiles_string C=CCCC(=O)O

Known URLs

20

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=591-80-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35936 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.849 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0044448 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=20944 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9000 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185583 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/4-pentenoic-acid enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D4S77Y29FB enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031602 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.731D enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01030007 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01030007 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=442 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61138 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/1936211 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2730684 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6712730 enrich_references.chebi_xrefs
reaxys reaxys:1633696 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27116641 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d23d3a9a-48cc-4556-93b0-d1e21d8d0542 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
a3805b22-1fb0-4b63-8386-19979c1f55bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
030e624a-a693-41a6-80bd-8d4bc2cdbd6a Environmental → Air → Indoor EF 3.1 kg 2
53d8f284-b30a-4287-a789-79a210235e99 Environmental → Air → Long-term EF 3.1 kg 0
6a9b6416-d87b-4f9d-bc97-b763936b5222 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
98ec9da8-2cc9-4fca-901f-fba74deb4353 Environmental → Air → Unknown EF 3.1 kg 2
1447cd96-4b6a-4e95-8849-ddcca3746994 Environmental → Ground → Agricultural EF 3.1 kg 2
83d60417-9c1e-4de2-9b7f-e6a97b11f27e Environmental → Ground → Non-agricultural EF 3.1 kg 2
e71d2fba-b4a8-4a24-913b-50d08e2b1d8c Environmental → Ground → Unknown EF 3.1 kg 2
56e5ef0a-bf39-4e09-9797-a03a4267ac59 Environmental → Water → Long-term EF 3.1 kg 0
563efa30-6721-4320-881c-7c333806d349 Environmental → Water → Ocean EF 3.1 kg 2
5d8feab3-c3da-4aac-86df-ab23769646e5 Environmental → Water → Surface water EF 3.1 kg 2
23399eb4-aca0-4036-910c-e10984c66783 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-d11aa9bd70382053",
  "prefLabel": [
    {
      "@value": "Pent-4-enoic Acid",
      "@language": "en",
      "@lang": "en",
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  ],
  "altLabel": [
    {
      "@value": "(3-Vinyl)propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-vinylpropionic acid",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "4-penten-1-oic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
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      }
    },
    {
      "@value": "4-pentenoic acid",
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    },
    {
      "@value": "4-Pentensaeure",
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    {
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    },
    {
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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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