Brightway Flows 1.0
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Tribenuron

fo-0f4fd2f8d7e38e15

Identity

Type
Neutral molecule
CAS
106040-48-6
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
20 across every transformer

Structure

Structure diagram for Tribenuron

What it is used for

2

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
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

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string LFBREERLHSYWED-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H15N5O6S/c1-8-16-11(18-14(17-8)25-2)7-15-13(22)19-26(23,24)10-6-4-3-5-9(10)12(20)21/h3-6H,7H2,1-2H3,(H,20,21)(H2,15,19,22)
IUPAC name chemrof:IUPAC_name 2-[[[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]amino]sulfonyl]benzoic acid
Molecular formula chemrof:molecular_formula C14H15N5O6S
Molecular mass chemrof:molecular_mass 381.37
Monoisotopic mass chemrof:monoisotopic_mass 381.074304
SMILES string chemrof:smiles_string COc1nc(C)nc(CN=C(O)NS(=O)(=O)c2ccccc2C(=O)O)n1

Known URLs

14

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=106040-48-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83571 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.108.988 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20147486 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S929E7O41Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.178.744K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18900 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18900 enrich_references.pubchem_identifier_url
pesticides pesticides:tribenuron enrich_references.chebi_xrefs
ppdb ppdb:1556 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91772 enrich_references.pubchem_compound
reaxys reaxys:8348441 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27105095 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tribenuron enrich_references.pubchem_identifier_url

Elementary flows

7
Flow Context Source Unit CFs
a41d4c8f8a50016531b86273c55e032d902ff640 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) ecoinvent algorithm addition kg 0
58f5c27fac933596a805b7f0f255f1636dd5aa7a Environmental → Air → Unknown ecoinvent algorithm addition kg 0
cb969920-d024-4d49-954d-cd8d2dd5dfab Environmental → Ground → Agricultural EF 3.1 kg 0
adb2355c5d4e964e8e8877c772996345c755e37f Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
705670b940de262901650d4b52701a88e0560a4b Environmental → Ground → Unknown ecoinvent algorithm addition kg 0
6fcddc92886454523026df7aac7852ebc74b2566 Environmental → Water → Surface water ecoinvent algorithm addition kg 0
9e477abe61f1fa6250c57274c11a1dd918008efd Environmental → Water → Unknown ecoinvent algorithm addition kg 0

History

Everything that changed this substance (20 changes)

Open the changes page

Full record

Flow object JSON 
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        "106040-48-6"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=106040-48-6"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=106040-48-6"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "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": "An N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "http://purl.obolibrary.org/obo/CHEBI_83571"
        ],
        "prov:wasDerivedFrom": "chebi.definition"
      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24527",
      "rdfs:label": "herbicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy 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"
      }
    },
    {
      "@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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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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