Consensus flow list

Identity

Type
NeutralMolecule
CAS
1113-02-6
EC
214-197-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Omethoate

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

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PZXOQEXFMJCDPG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
IUPAC name chemrof:IUPAC_name 2-Dimethoxyphosphinoylthio-N-methylacetamide
Molecular formula chemrof:molecular_formula C5H12NO4PS
Molecular mass chemrof:molecular_mass 213.195
Monoisotopic mass chemrof:monoisotopic_mass 213.022465, 213.02247
SMILES string chemrof:smiles_string CNC(=O)CSP(=O)(OC)OC

Known URLs

16

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:1785256 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1113-02-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38730 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.012.907 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4037580 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2270068 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/28U28EWE79 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.362F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18662 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18662 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55986 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163682 enrich_references.pubchem_identifier_url
ppdb ppdb:492 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14210 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q2204769 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Omethoate enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
97c96119-7e76-4433-8afd-daf393e3a8d9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
90c29f3a-251a-49f0-9812-b34f348f9706 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5ce9e31e-415e-4772-8202-b3244cd2dac3 Environmental → Air → Indoor EF 3.1 kg 4
b56d9301-131c-4813-98ad-a7fad298ea5f Environmental → Air → Long-term EF 3.1 kg 0
12b72c33-e5b0-4bdb-8813-1dc5f10ebfb0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
580c4d95-3f4c-4a39-a613-3b8cb8c31a6c Environmental → Air → Unknown EF 3.1 kg 4
4d3191ae-920a-4497-81d8-1914c9a52018 Environmental → Ground → Agricultural EF 3.1 kg 4
01682782-cea3-4eb6-9d14-80ef6934179a Environmental → Ground → Non-agricultural EF 3.1 kg 4
21fa692d8b3a0263966989a701ada1ca8b0eb658 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
79d54cc2-9a20-462d-8445-a50e0b113916 Environmental → Ground → Unknown EF 3.1 kg 4
b0c8d1fb-92c4-4c79-9885-974a8e950a0e Environmental → Water → Long-term EF 3.1 kg 0
a7831827-754f-4039-961d-ad346197a15e Environmental → Water → Ocean EF 3.1 kg 4
45a2715e-72b5-4771-8d63-51083b14d342 Environmental → Water → Surface water EF 3.1 kg 4
b047aacc-ed6e-42dd-bd8f-6d10c29f61ca 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-bc8cef53a7e823bf",
  "prefLabel": [
    {
      "@value": "Omethoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Dimethoxyphosphinoylthio-N-methylacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Dimethoate O-analog",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1113-02-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethoate oxon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethoate oxygen analog",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethoate PO isologue",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dimethoxon",
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      "provenance": {
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    },
    {
      "@value": "Folimat",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Folimat 4E",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Le-mat",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "O,O-Dimethyl S-((methylcarbamoyl)methyl)phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "O,O-Dimethyl S-(N-methylcarbamoylmethyl) phosphorothiolate",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "O,O-Dimethyl S-(N-methylcarbamoylmethyl) thiophosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "O,O-Dimethyl S-[(methylcarbamoyl)methyl] phosphorothioate",
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      "provenance": {
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      }
    },
    {
      "@value": "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] phosphorothioate",
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      }
    },
    {
      "@value": "O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] thiophosphate",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "O,O-Dimethyl-S-(N-methylcarbamoylmethyl)phosphorothioate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl S-(2-(methylamino)-2-oxoethyl) ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl S-(methylcarbamoylmethyl) ester",
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      "@lang": "en",
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      }
    },
    {
      "@value": "Phosphorothioic acid, O,O-dimethyl S-[2-(methylamino)-2-oxoethyl] ester",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PO-Dimethoate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "Spraymate L 1700",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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  ],
  "properties": {
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      "@value": [
        "C5H12NO4PS"
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      "attested_by": {
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      "attested_by": {
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