Consensus flow list

Identity

Type
NeutralMolecule
CAS
23560-59-0
EC
245-737-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Heptenophos

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. 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
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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GBAWQJNHVWMTLU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3
IUPAC name chemrof:IUPAC_name 7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate
Molecular formula chemrof:molecular_formula C9H12ClO4P
Molecular mass chemrof:molecular_mass 250.618
Monoisotopic mass chemrof:monoisotopic_mass 250.01617, 250.016173
SMILES string chemrof:smiles_string COP(=O)(OC)OC1=C(Cl)C2C=CCC12

Known URLs

15

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
beilstein beilstein:1978448 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=23560-59-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38693 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.041.564 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5042037 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL432816 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0031793 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J20.696B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18660 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18660 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=45105 enrich_references.pubchem_identifier_url
ppdb ppdb:379 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62773 enrich_references.pubchem_compound
vsdb vsdb:379 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q22808258 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4cb466-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fe0acd60-3ddc-11dd-a67a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9a47c6f8-70d5-48c3-8c0e-4af2baf6b609 Environmental → Air → Indoor EF 3.1 kg 2
fe0acd60-3ddc-11dd-a679-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a67b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
fe0acd60-3ddc-11dd-a678-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a676-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
fe0acd60-3ddc-11dd-a67f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
fb303a430454a3ef38c35f500a8f03363e4a94ec Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a677-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
fe0acd60-3ddc-11dd-a67d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-946a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
fe0acd60-3ddc-11dd-a67c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
fe0acd60-3ddc-11dd-a67e-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-d906a386d925f2c5",
  "prefLabel": [
    {
      "@value": "Heptenophos",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-(O,O-Dimethylphosphoryl)-5-chlorobicyclo[3.2.0]hepta-1,4-diene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "7-chlorobicyclo[3.2.0]hepta-2,6-dien-6-yl dimethyl phosphate",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bicyclo[3.2.0]heptane, phosphoric acid deriv.",
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    },
    {
      "@value": "Heptenofos",
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    },
    {
      "@value": "Hostaquick",
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    },
    {
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    },
    {
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    },
    {
      "@value": "Ragadan",
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