Consensus flow list

Metribuzin

fo-7cc1d3d3abb2c633

Identity

Type
NeutralMolecule
CAS
21087-64-9
EC
244-209-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Metribuzin

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
herbicide CHEBI:24527 A substance used to destroy plant 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

33

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string FOXFZRUHNHCZPX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
IUPAC name chemrof:IUPAC_name 4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one
Molecular formula chemrof:molecular_formula C8H14N4OS
Molecular mass chemrof:molecular_mass 214.294
Monoisotopic mass chemrof:monoisotopic_mass 214.08883, 214.088832
SMILES string chemrof:smiles_string CSc1nnc(C(C)(C)C)c(=O)n1N

Known URLs

22

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=21087-64-9 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/XZ2D9FB0.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34846 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.040.175 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0516 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024204 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1902519 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QO836138OV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254685 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.868F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14332 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14332 enrich_references.pubchem_identifier_url
pesticides pesticides:metribuzin enrich_references.chebi_xrefs
ppdb ppdb:469 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/30479 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23139237 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24328539 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24631619 enrich_references.chebi_xrefs
reaxys reaxys:746650 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q421450 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Metribuzin enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
3e4cb44b-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-afd8-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
54d60889-c2b0-4fa2-a368-ac09867c5ab4 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-afd7-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-afd9-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-afd6-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-afd4-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-afdd-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
8b8bf83640f6ccdfc1487a364cf80c7ada342ba6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-afd5-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-afdb-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-afde-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-afda-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
bf4f8ce6d07c1838957eae941e17ff375672d522 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-afdc-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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  "altLabel": [
    {
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    },
    {
      "@value": "3-Methylthio-4-amino-6-tert-butyl-1,2,4-triazin-5(4H)-one",
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      "@value": "4-amino-6-tert-butyl-3-(methylsulfanyl)-1,2,4-triazin-5(4H)-one",
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      "@value": "Dimetric Liquid",
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    {
      "@value": "Lazurit Super",
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    },
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      "@value": "Lexone",
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    {
      "@value": "Lexone DF",
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    },
    {
      "@value": "Metribuzin 70 WP",
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    },
    {
      "@value": "Metribuzine",
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      }
    },
    {
      "@value": "Qincaotong",
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        ],
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      }
    },
    {
      "@value": "Sencor",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Sencor 4F",
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        ],
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    },
    {
      "@value": "Sencor 70 WG",
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    },
    {
      "@value": "Sencor 75DF",
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    },
    {
      "@value": "Sencor Extra",
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      }
    },
    {
      "@value": "Sencor SC",
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    },
    {
      "@value": "Sencorex",
      "@language": "en",
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      }
    },
    {
      "@value": "Sencorex L.F.",
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    },
    {
      "@value": "Senkor",
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    },
    {
      "@value": "Soccer",
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    },
    {
      "@value": "Soccer (herbicide)",
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        ],
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      }
    },
    {
      "@value": "Tribute (metribuzin herbicide)",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tricor 4F",
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    },
    {
      "@value": "Zontran",
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      }
    }
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      "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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