Brightway Flows 1.0
GitHub

Ethylenediaminetetraacetic acid

fo-2869e10c2f888bcb

Identity

Type
Neutral molecule
CAS
60-00-4
EC
200-449-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
65 across every transformer

Structure

Structure diagram for Ethylenediaminetetraacetic acid

Alternative labels

73

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KCXVZYZYPLLWCC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
IUPAC name chemrof:IUPAC_name Ethylenediaminetetraacetic acid
Molecular formula chemrof:molecular_formula C10H16N2O8
Molecular mass chemrof:molecular_mass 292.244
Monoisotopic mass chemrof:monoisotopic_mass 292.090665, 292.09067
SMILES string chemrof:smiles_string O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Known URLs

56

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=60-00-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4735 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.409 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.872 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.462 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0886 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.5826.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6022977 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00974 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00974 enrich_references.pubchem_identifier_url
drugcentral drugcentral:987 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/987 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL858 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9G34HU7RV0 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0015109 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.406G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00284 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00052 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00284 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00052 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03945 enrich_references.pubchem_identifier_url
knapsack knapsack:C00062378 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43228 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C61742 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:EDT enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA449439 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL858 enrich_references.pubchem_identifier_url
ppdb ppdb:1337 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6049 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=002613 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/33351441 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34135967 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34152137 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34277313 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34370848 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34481414 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35006635 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35305029 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35343279 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35859250 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35936934 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35964552 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36187868 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36200920 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36229181 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36265367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36297869 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36314569 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36348502 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36540522 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36566396 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36597320 enrich_references.chebi_xrefs
reaxys reaxys:1716295 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/3755 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q408032 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethylenediaminetetraacetic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
d86c88d1-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9ddc-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
0efcdf1a-7415-4ac1-a81e-6d30525067a6 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9ddb-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9ddd-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9dda-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9dd8-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-939c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9dd9-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-8cd8-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-939d-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9dde-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-939b-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (65 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2869e10c2f888bcb",
  "prefLabel": [
    {
      "@value": "Ethylenediaminetetraacetic acid",
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      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
      "@value": "(ethane-1,2-diyldinitrilo)tetraacetic acid",
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    },
    {
      "@value": "(ethylenedinitrilo)tetraacetic acid",
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    {
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      "@value": "3,6-Diazaoctanedioic acid, 3,6-bis(carboxymethyl)-",
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    },
    {
      "@value": "Acroma DH 700",
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      "@value": "Celon A",
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    {
      "@value": "Celon ATH",
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      }
    },
    {
      "@value": "Chelest 3A",
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      "@value": "Circuposit 3350M1",
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      "@value": "Clewat 3K",
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