Consensus flow list

Identity

Type
NeutralMolecule
CAS
2164-08-1
EC
218-499-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Lenacil

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant 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

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZTMKADLOSYKWCA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)
IUPAC name chemrof:IUPAC_name 3-cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione
Molecular formula chemrof:molecular_formula C13H18N2O2
Molecular mass chemrof:molecular_mass 234.299
Monoisotopic mass chemrof:monoisotopic_mass 234.136828, 234.13683
SMILES string chemrof:smiles_string O=c1[nH]c2c(c(=O)n1C1CCCCC1)CCC2

Known URLs

19

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=2164-08-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6407 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.818 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9042093 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1522462 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X58DK6S8KX enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.387A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11200 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11200 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67656 enrich_references.pubchem_identifier_url
pesticides pesticides:lenacil enrich_references.chebi_xrefs
ppdb ppdb:417 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16559 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/10552732 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24018142 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4852033 enrich_references.chebi_xrefs
reaxys reaxys:751331 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q1817371 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Lenacil enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
12a5fe73-f383-4c45-a083-4227dfa6a593 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
89bf7f93-d62b-4785-9dd1-3a6d4a4b54f0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
585a9d77-574e-429a-b8bf-1eb3d6e84f98 Environmental → Air → Indoor EF 3.1 kg 4
a28adbca-0d99-44c9-a790-c1d09760ff97 Environmental → Air → Long-term EF 3.1 kg 0
a099e90b-fac8-4f6f-86a3-3c9972400b0e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5128238f-2718-4ba5-a1d1-bef405203c05 Environmental → Air → Unknown EF 3.1 kg 4
a7d4d7b3-c12c-49cc-ba6e-d8ed98b270b7 Environmental → Ground → Agricultural EF 3.1 kg 4
eece88db-9040-4727-a51a-ba1a65c7e10a Environmental → Ground → Non-agricultural EF 3.1 kg 4
3182d37a82971830fe20da03789bca2cb1bd92c0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
cff71e4b-8e3c-43c2-aee4-161c07b7eaaa Environmental → Ground → Unknown EF 3.1 kg 4
4daa0f39-3df0-477c-b6c5-5ab82542962d Environmental → Water → Long-term EF 3.1 kg 0
de252a88-6c98-41fd-af6d-7a01a4b243d2 Environmental → Water → Ocean EF 3.1 kg 4
35775761-d235-43e0-98f3-3404159cca65 Environmental → Water → Surface water EF 3.1 kg 4
ccadd8db-ea0b-47ad-be06-dddc9ba58111 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-19a7e5f5c8c972ec",
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      "@value": "Lenacil",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-",
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      "@lang": "en",
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    },
    {
      "@value": "3-cyclohexyl-1,5,6,7-tetrahydrocyclopentapyrimidine-2,4(3H)-dione",
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      }
    },
    {
      "@value": "3-Cyclohexyl-2-hydroxy-3,5,6,7-tetrahydro-cyclopentapyrimidin-4-one",
      "@language": "en",
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    },
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      }
    },
    {
      "@value": "3-cyclohexyl-6,7-dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione",
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    {
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    },
    {
      "@value": "5-Cyclohexyl-5,7-diaza-2,3,4,5,6,7-hexahydroindene-4,6-dione",
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    },
    {
      "@value": "Adol (pesticide)",
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    },
    {
      "@value": "Adol 80WP",
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    },
    {
      "@value": "Buracyl",
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    },
    {
      "@value": "Du Pont 634",
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    },
    {
      "@value": "Elbatan",
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      }
    },
    {
      "@value": "Hexilure",
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      }
    },
    {
      "@value": "Hexylure",
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    },
    {
      "@value": "Lenacil 80WP",
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    },
    {
      "@value": "Venzar",
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  ],
  "properties": {
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