Consensus flow list

Chlordecone

fo-3a1ee32659209dd3

Identity

Type
NeutralMolecule
CAS
143-50-0
EC
205-601-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Chlordecone

What it is used for

4

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. ChEBI
persistent organic pollutant CHEBI:77853 Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LHHGDZSESBACKH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
IUPAC name chemrof:IUPAC_name 1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one
Molecular formula chemrof:molecular_formula C10Cl10O
Molecular mass chemrof:molecular_mass 490.639
Monoisotopic mass chemrof:monoisotopic_mass 485.68344, 485.683441
SMILES string chemrof:smiles_string O=C1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C3(Cl)C1(Cl)C5(Cl)C24Cl

Known URLs

32

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
agr agr:IND44714295 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=143-50-0 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/PC82D818.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16548 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.093 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1432 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020770 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL462576 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/RG5XJ88UDF enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0059603 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2914.71.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J10.213J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C01792 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C01792 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-36918 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44352 enrich_references.pubchem_identifier_url
patent patent:US2616825 enrich_references.chebi_xrefs
patent patent:US2616928 enrich_references.chebi_xrefs
ppdb ppdb:1293 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/299 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2761 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/19167793 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20566993 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21852857 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22683396 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23706897 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23827360 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24401561 enrich_references.chebi_xrefs
reaxys reaxys:1894593 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q423892 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chlordecone enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Kepone enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
041fd229-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d2a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
34afdb29-8b0b-4ff0-85dd-b1fda7e94f01 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d29-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d2b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d28-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d26-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d2f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c4f6103371cb13fd90f02476edfa5aaa18bbb7ff Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9d27-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d2d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a566-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d2c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-9d2e-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
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    },
    {
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    },
    {
      "@value": "Decachloroketone",
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    {
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    },
    {
      "@value": "Decachloropentacyclo[5.2.1.02,6.03,9.05,8]decan-4-one",
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    },
    {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
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      "@value": "perchloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one",
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  "properties": {
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    },
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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        },
        {
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    },
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