Consensus flow list

Identity

Type
NeutralMolecule
CAS
90982-32-4
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Chlorimuron-ethyl

What it is used for

3

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
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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string NSWAMPCUPHPTTC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
IUPAC name chemrof:IUPAC_name ethyl 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoate
Molecular formula chemrof:molecular_formula C15H15ClN4O6S
Molecular mass chemrof:molecular_mass 414.827
Monoisotopic mass chemrof:monoisotopic_mass 414.04008, 414.040083
SMILES string chemrof:smiles_string CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1

Known URLs

40

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
agr agr:IND500629567 enrich_references.chebi_xrefs
agr agr:IND500707520 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=90982-32-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:47319 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.992 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0023955 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1231791 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B00AW0IM5Q enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J372.959A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10943 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10943 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67776 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:CIE enrich_references.chebi_xrefs
pesticides pesticides:derivatives/chlorimuron-ethyl enrich_references.chebi_xrefs
ppdb ppdb:1145 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/56160 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=439541 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/20574870 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21361029 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21851837 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22967225 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23137550 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23189702 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23542325 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23792929 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24264144 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24794985 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25028319 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25661176 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25689050 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26363318 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26810662 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28208114 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29268112 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29500939 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29614448 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29621247 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29672047 enrich_references.chebi_xrefs
reaxys reaxys:7448363 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27274210 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
64b1ce37-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
4d9a8790-3ddd-11dd-905b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-905a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-905c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
4d9a8790-3ddd-11dd-9059-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-9057-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 0
4d9a8790-3ddd-11dd-8c9b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 0
fab38edfd7ac93033062aafcd1cd2e949edec866 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9058-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 0
4d9a8790-3ddd-11dd-905e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8c9c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 0
4d9a8790-3ddd-11dd-905d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 0
1387fbd7236ef9f6c8ac57d94a3d1384bfebd924 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-8c9a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3292b27164209d45",
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