Consensus flow list

Identity

Type
NeutralMolecule
CAS
99105-77-8
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Sulcotrione

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
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

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PQTBTIFWAXVEPB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
IUPAC name chemrof:IUPAC_name 2-[2-chloro-4-(methylsulfonyl)benzoyl]cyclohexane-1,3-dione
Molecular formula chemrof:molecular_formula C14H13ClO5S
Molecular mass chemrof:molecular_mass 328.773
Monoisotopic mass chemrof:monoisotopic_mass 328.01722, 328.017222
SMILES string chemrof:smiles_string CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1

Known URLs

18

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=99105-77-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83465 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.125.657 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.205.245 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9058230 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2252422 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5UEH9SXW7V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258570 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J660.087E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=155893 enrich_references.pubchem_identifier_url
pesticides pesticides:sulcotrione enrich_references.chebi_xrefs
ppdb ppdb:600 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91760 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/23821594 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25052526 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25331320 enrich_references.chebi_xrefs
reaxys reaxys:8155739 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q22808904 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
0db3061c-d66d-441d-953c-d4ac60059e60 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
eb4ebb69-8214-4a40-9e06-c2d55df1f8d1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
73940e7e-4c67-45f6-b1d4-5c3c9b90573d Environmental → Air → Indoor EF 3.1 kg 4
493d02d1-4b4b-4734-bb5a-30129c8c4447 Environmental → Air → Long-term EF 3.1 kg 0
fbd06ad7-4e2b-4418-badc-13aae0a00026 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
1f14dbc1-c703-4271-8002-e4f39eb05d80 Environmental → Air → Unknown EF 3.1 kg 4
58e1ca33-fe4e-4a11-977a-cd806ce52af5 Environmental → Ground → Agricultural EF 3.1 kg 4
7a9a948c-b2a8-4a3b-96f1-16baf3fe2d64 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3469ee9dcdecd124e0cd6067678e71ea37a71892 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
0aeef5e8-4cae-47e2-8b02-2079d54e60c9 Environmental → Ground → Unknown EF 3.1 kg 4
18f576c8-320d-4f2c-bad9-5a83ad6c27df Environmental → Water → Long-term EF 3.1 kg 0
ff3c065f-bee2-4224-acbf-a424b8e255e9 Environmental → Water → Ocean EF 3.1 kg 4
32a8c83c-e307-4df1-9f6a-f3288358540a Environmental → Water → Surface water EF 3.1 kg 4
f5ec7c8b-2f54-44d4-ad6b-d1572b62823a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-f7b37bff026da9c3",
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  "altLabel": [
    {
      "@value": "1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)benzoyl]-",
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    },
    {
      "@value": "2-[2-Chloro-4-(methylsulfonyl)benzoyl]-1,3-cyclohexanedione",
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