Consensus flow list

Identity

Type
NeutralMolecule
CAS
66063-05-6
EC
266-096-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Pencycuron

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. 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

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string OGYFATSSENRIKG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
IUPAC name chemrof:IUPAC_name 1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea
Molecular formula chemrof:molecular_formula C19H21ClN2O
Molecular mass chemrof:molecular_mass 328.843
Monoisotopic mass chemrof:monoisotopic_mass 328.13424, 328.134241
SMILES string chemrof:smiles_string O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1

Known URLs

26

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:IND22072683 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=66063-05-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7957 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.060.069 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3042261 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2229452 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/GCH2G449HP enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J19.077B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11012 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11012 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67990 enrich_references.pubchem_identifier_url
pesticides pesticides:pencycuron enrich_references.chebi_xrefs
ppdb ppdb:510 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91692 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11405276 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16052708 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16083758 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16187259 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17090495 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19616894 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20088408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24875866 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24901963 enrich_references.chebi_xrefs
reaxys reaxys:2154416 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q4989650 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pencycuron enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
19266fb7-7f47-43d5-99b1-fa89bb3cee5d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
490d77d4-90d7-4a35-9411-be383048dfb8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a7642820-dfaf-4ed4-b9c0-2cfbad9643ed Environmental → Air → Indoor EF 3.1 kg 4
158b990f-0c88-43bf-803b-1438ac593ae3 Environmental → Air → Long-term EF 3.1 kg 0
e2696263-aaf7-45f4-ac3f-e2de62d02c02 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fd5d7a3b-da00-42e2-b3ae-bb257a6b1379 Environmental → Air → Unknown EF 3.1 kg 4
9a82ae3c-0e87-457c-8778-b873451ec0af Environmental → Ground → Agricultural EF 3.1 kg 4
d3a916b4-485a-465c-b739-169280d40700 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d3aad54bba88c09894e7b64a2a9b7d1aea500a99 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
adf957c8-34c6-4349-b0c0-b7c05aae470b Environmental → Ground → Unknown EF 3.1 kg 4
b628d5b4-fa92-4ac7-9671-834a061c6a65 Environmental → Water → Long-term EF 3.1 kg 0
94838d7a-5871-4fb0-8336-15d1d0d929f6 Environmental → Water → Ocean EF 3.1 kg 4
a78aa12b-51b5-4186-bdc3-736d4f32068e Environmental → Water → Surface water EF 3.1 kg 4
7e1183de-8a64-4dd5-ad5d-90175687825e Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-61471f5e54d4c999",
  "prefLabel": [
    {
      "@value": "Pencycuron",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
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  ],
  "altLabel": [
    {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(p-Chlorobenzyl)-1-cyclopentyl-3-phenylurea",
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    {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
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    },
    {
      "@value": "[(Chlorophenyl)-methyl]-N-cyclopentyl-N'-phenylurea",
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    },
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      "@value": "Monceraen 250SC",
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    {
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    },
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