Brightway Flows 1.0
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Fosetyl

fo-640ff33e375a0819

Identity

Type
Neutral molecule
CAS
15845-66-6
EC
—
Origin
ecoinvent-3.12 hybrid_name_cas_v1
Changes
0 across every transformer

Structure

Structure diagram for Fosetyl

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

4

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VUERQRKTYBIULR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2H7O3P/c1-2-5-6(3)4/h6H,2H2,1H3,(H,3,4)
Molecular formula chemrof:molecular_formula C2H7O3P
Molecular mass chemrof:molecular_mass 110.049
Monoisotopic mass chemrof:monoisotopic_mass 110.01328, 110.013281
SMILES string chemrof:smiles_string [H]P(=O)(O)OCC

Known URLs

7

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=15845-66-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40926 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18401 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:ATJ enrich_references.chebi_xrefs
pesticides pesticides:fosetyl enrich_references.chebi_xrefs
ppdb ppdb:1548 enrich_references.chebi_xrefs
reaxys reaxys:969557 enrich_references.chebi_xrefs

Elementary flows

7
Flow Context Source Unit CFs
0ded845f980657c841c82a14875a614b31cfc429 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
55ccacd52a3b091f13e84f101bea4c4eb665a2cc Environmental → Air → Unknown ecoinvent algorithm addition kg 0
9cd524c4305dfa8d6bb38cd3e78b003efc7cdc5b Environmental → Ground → Agricultural ecoinvent algorithm addition kg 0
3e77edb735936c8225327020c1162638da32a609 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
3b6e4c21f4b09c9ec14edd2f9a019379b38858b0 Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
3855ee91b08ef19e193b6120be605a6c2e7907ee Environmental → Water → Surface water ecoinvent algorithm addition kg 0
6083c4a4f431950ee77be47415e8070b57f27263 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 
{
  "flow_object_id": "fo-640ff33e375a0819",
  "prefLabel": [
    {
      "@value": "Fosetyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "ethyl hydrogen phosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_40926"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ethyl phosphinic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_40926"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Monoethyl phosphonate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_40926"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phosphonic acid, monoethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ecoinvent-3.12",
          "http://purl.obolibrary.org/obo/CHEBI_40926"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C2H7O3P"
      ],
      "attested_by": {
        "C2H7O3P": [
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        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
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      "attested_by": {
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
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      "rdfs:label": "InChI",
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    },
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      "@value": [
        "VUERQRKTYBIULR-UHFFFAOYSA-N"
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      "rdfs:label": "InChIKey",
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        }
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      ],
      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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      "provenance": [
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        },
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          "prov:hadPrimarySource": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      "@value": [
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        110.013281
      ],
      "attested_by": {
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        "110.013281": [
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      },
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          "prov:wasDerivedFrom": "chebi.basic_property_values.monoisotopic_mass"
        },
        {
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          "prov:hadPrimarySource": [
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        },
        {
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          "prov:hadPrimarySource": [
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      ]
    },
    "https://w3id.org/chemrof/elemental_charge": {
      "@id": "https://w3id.org/chemrof/elemental_charge",
      "@value": [
        0
      ],
      "attested_by": {
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      },
      "rdfs:label": "Elemental charge",
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/NUM",
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        ],
        "prov:wasDerivedFrom": "chebi.basic_property_values.charge"
      }
    }
  },
  "references": [
    {
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    {
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        "prov:wasDerivedFrom": "chebi.id"
      }
    },
    {
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    },
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
      }
    },
    {
      "@id": "pesticides:fosetyl",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
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        ],
        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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    },
    {
      "@id": "reaxys:969557",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "chebi.xrefs_urls"
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  ],
  "created_from": {
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    "seed_uuid": "45bffd35-f75b-5722-bd62-b460f82f024c",
    "seed_source": "ecoinvent-3.12",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      ],
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
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    }
  },
  "classifications": {
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      "@value": [
        "15845-66-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=15845-66-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
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      "provenance": {
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        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "A phosphonic ester that is the monoethyl ester of phosphonic acid.  A fungicide used (as its aluminium salt) for various horticultural crops used to control a range of diseases including Phytophthora, Pythium and Plasmopara .",
      "@language": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi.definition"
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  ],
  "@type": [
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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": [
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        ],
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    },
    {
      "@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",
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        ],
        "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",
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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