Consensus flow list

Tribenuron-methyl

fo-949c6b36ae7713de

Identity

Type
NeutralMolecule
CAS
101200-48-0
EC
401-190-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Tribenuron-methyl

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

31

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VLCQZHSMCYCDJL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
IUPAC name chemrof:IUPAC_name methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate
Molecular formula chemrof:molecular_formula C15H17N5O6S
Molecular mass chemrof:molecular_mass 395.397
Monoisotopic mass chemrof:monoisotopic_mass 395.08995, 395.089954
SMILES string chemrof:smiles_string COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=101200-48-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9678 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.313 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.083 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=1359 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8024101 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03656 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1229780 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/D0493A985P enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J407.004F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10962 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10962 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=50029 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:1TB enrich_references.chebi_xrefs
pesticides pesticides:tribenuron enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1229780 enrich_references.pubchem_identifier_url
ppdb ppdb:655 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/153909 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=223260 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20048324 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21277578 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21637929 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21983197 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22217454 enrich_references.chebi_xrefs
reaxys reaxys:7447730 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2394026 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
64b1ce41-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a46a-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
56d43d46-743f-4e8d-b513-6c8fb86b308f Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a469-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a46b-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-93ca-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-93c8-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a46f-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
33fba599e8e1b2388ff731bd463239671693d7e9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-93c9-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a46d-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a470-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a46c-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08c866283ecc061c0e1738850c8942b5b5790abf Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a46e-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": "Quantum",
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      "@value": "Quantum (plant growth regulator)",
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      "@value": "Sulfmethmeton-methyl",
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  "properties": {
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      "@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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