Consensus flow list

Phosmet

fo-782d071a2ac3277b

Identity

Type
NeutralMolecule
CAS
732-11-6
EC
211-987-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Phosmet

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). ChEBI
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

32

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LMNZTLDVJIUSHT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
IUPAC name chemrof:IUPAC_name O,O-Dimethyl S-(phthalimidomethyl) dithiophosphate
Molecular formula chemrof:molecular_formula C11H12NO4PS2
Molecular mass chemrof:molecular_mass 317.328
Monoisotopic mass chemrof:monoisotopic_mass 316.994536, 316.99454
SMILES string chemrof:smiles_string COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O

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
beilstein beilstein:264869 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=732-11-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38786 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.899 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0543 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024261 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB11448 enrich_references.pubchem_identifier_url
drugcentral.org https://drugcentral.org/drugcard/5599 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1481873 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/VN04LI540Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256463 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.108C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18756 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08372 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18756 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08372 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56001 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76877 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1481873 enrich_references.pubchem_identifier_url
ppdb ppdb:521 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12901 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2783 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
vsdb vsdb:521 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421379 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phosmet enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
172ab2f1-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a054-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ea4fae33-5ec2-4a82-8aca-64253c85740d Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a053-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a055-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a052-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-984a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9c07-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
c52b0697f083bd720fd2c29a6d55493389a36b34 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a051-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a057-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9c08-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a056-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a058-0050c2490048 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 
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    {
      "@value": "N-(Mercaptomethyl)phthalimide S-(O,O-dimethyl phosphorodithioate)",
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    {
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      "@value": "Orbisect",
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    },
    {
      "@value": "Ordatox",
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        ],
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      }
    },
    {
      "@value": "Phosphorodithioic acid, O,O-dimethyl ester, S-ester with N-(mercaptomethyl)phthalimide",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Phosphorodithioic acid, O,O-dimethyl S-phthalimidomethyl ester",
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          "https://commonchemistry.cas.org/detail?cas_rn=732-11-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorodithioic acid, S-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl] O,O-dimethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phthalophos",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PMP",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "PMP (pesticide)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=732-11-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Porect",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Prolate",
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      }
    },
    {
      "@value": "S-((1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl)phosphorodithioic acid O,O-dimethyl ester",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl dithiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl] O,O-dimethyl phosphorodithioate",
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      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "S-Phthalimidomethyl O,O-dimethyl phosphorodithioate",
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      "@lang": "en",
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    },
    {
      "@value": "Safidon",
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    },
    {
      "@value": "Simidan",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Starbar GX 118",
      "@language": "en",
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      }
    },
    {
      "@value": "Stauffer R 1504",
      "@language": "en",
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  ],
  "properties": {
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      "attested_by": {
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      "rdfs:label": "Molecular formula",
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        "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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