Consensus flow list

Mandipropamid

fo-35c355cf996a7fb7

Identity

Type
NeutralMolecule
CAS
374726-62-2
EC
609-434-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Mandipropamid

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
InChI2D key string chemrof:inchi2d_key_string KWLVWJPJKJMCSH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C23H22ClNO4/c1-4-14-28-20-11-6-17(16-21(20)27-3)12-13-25-23(26)22(29-15-5-2)18-7-9-19(24)10-8-18/h1-2,6-11,16,22H,12-15H2,3H3,(H,25,26)
IUPAC name chemrof:IUPAC_name 2-(4-Chlorophenyl)-N-[2-[3-methoxy-4-(prop-2-ynyloxy)phenyl]ethyl]-2-(prop-2-ynyloxy)acetamide
Molecular formula chemrof:molecular_formula C23H22ClNO4
Molecular mass chemrof:molecular_mass 411.885
Monoisotopic mass chemrof:monoisotopic_mass 411.123736
SMILES string chemrof:smiles_string C#CCOc1ccc(CCNC(=O)C(OCC#C)c2ccc(Cl)cc2)cc1OC

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:IND500602764 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=374726-62-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81802 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18522 enrich_references.chebi_xrefs
patent patent:NZ574781 enrich_references.chebi_xrefs
pesticides pesticides:mandipropamid enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17962029 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20447272 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24243861 enrich_references.chebi_xrefs
reaxys reaxys:11307032 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
95b7998e-0ccb-46c7-8f78-9d3bdd45716b Environmental → Air → Aircraft cruise height EF 3.1 kg 4
6da9b253-e87b-440c-b889-f2eab1bca21f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5f85cc69-4fa9-4713-ad52-aa7b46b7ba31 Environmental → Air → Indoor EF 3.1 kg 4
2e61b3f2-27f0-4a7b-9bf2-2b8c408ac1ea Environmental → Air → Long-term EF 3.1 kg 0
83978548-da1d-4477-9c6c-62a57ff88a3e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
964a06d6-b09b-4ea8-8a1a-e5e38c2f731a Environmental → Air → Unknown EF 3.1 kg 4
5df8d86d-8b13-4260-920d-f73562effc5c Environmental → Ground → Agricultural EF 3.1 kg 4
7d36a543-1f23-4482-8143-7378d733f827 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d217639861747e8d5ce40061a81236da6f86f273 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
64c9089e-e6f8-451a-9044-e8d9de233b78 Environmental → Ground → Unknown EF 3.1 kg 4
d15bb876-3519-4393-916a-6f5f9206e9ca Environmental → Water → Long-term EF 3.1 kg 0
1f4a17fd-8565-4ff9-bdd4-e3a70289a192 Environmental → Water → Ocean EF 3.1 kg 4
3a028f1b-adc0-4b3b-88ae-009056aa1db0 Environmental → Water → Surface water EF 3.1 kg 4
4dc9ea4c-3b4e-41a9-8a2d-16b5f0545136 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
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  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
      "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_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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