Consensus flow list

Mepronil

fo-9d3f51093b47c9c3

Identity

Type
NeutralMolecule
CAS
55814-41-0
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Mepronil

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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BCTQJXQXJVLSIG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)
IUPAC name chemrof:IUPAC_name 2-Methyl-3'-isopropoxybenzanilide
Molecular formula chemrof:molecular_formula C17H19NO2
Molecular mass chemrof:molecular_mass 269.344
Monoisotopic mass chemrof:monoisotopic_mass 269.141579, 269.14158
SMILES string chemrof:smiles_string Cc1ccccc1C(=O)Nc1cccc(OC(C)C)c1

Known URLs

10

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:IND44182803 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=55814-41-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81823 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18548 enrich_references.chebi_xrefs
patent patent:NZ548018 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:MRN enrich_references.chebi_xrefs
pesticides pesticides:mepronil enrich_references.chebi_xrefs
ppdb ppdb:438 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20088408 enrich_references.chebi_xrefs
reaxys reaxys:2381749 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
b982ef6ac14cc516cf8ff7a99edf1953012e7567 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
8d6d05eb01f3e87d691745efccff470ef40de6ef Environmental → Air → Unknown ecoinvent algorithm addition kg 0
639741b1551768c59e23acdce5f84a2845d06b63 Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
c0ec7ecfadb6b94e86c7b2b3f357749a8f481b3b Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4748acb63b910dc9c5d83c2115ca9b7d54ea1ad4 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
8a758c625c706cabf09206ec80a8dc830688a95a Environmental → Water → Surface water ecoinvent algorithm addition kg 0
22e4cbbfd09092169ec60d90d8bb4c694adb839f Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (0 changes)

Open the changes page

Full record

Flow object JSON 
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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