Consensus flow list

Clethodim

fo-b06eb7f38ca1ac25

Identity

Type
NeutralMolecule
CAS
99129-21-2
EC
619-396-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Clethodim

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SILSDTWXNBZOGF-JWGBMQLESA-N, SILSDTWXNBZOGF-KUZBFYBWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14?
Isomeric SMILES string chemrof:isomeric_smiles_string CCSC(C)CC1CC(=O)C(C(CC)=NOC/C=C/Cl)=C(O)C1
IUPAC name chemrof:IUPAC_name 2-(N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl)-5-[2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one
Molecular formula chemrof:molecular_formula C17H26ClNO3S
Molecular mass chemrof:molecular_mass 359.919
Monoisotopic mass chemrof:monoisotopic_mass 359.13219, 359.132192
SMILES string chemrof:smiles_string CCSC(C)CC1CC(=O)C(C(CC)=NOCC=CCl)=C(O)C1

Known URLs

13

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=99129-21-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:70721 enrich_references.chebi_id_link
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL111058 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DLY40VJ33K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18609 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18609 enrich_references.pubchem_identifier_url
patent patent:CN101575307 enrich_references.chebi_xrefs
patent patent:US6300281 enrich_references.chebi_xrefs
ppdb ppdb:164 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/135491728 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11501920 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20128587 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27276472 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
8d6babb3-b896-4057-b7e0-d2919d21df2d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
2f9e45ca-5822-4981-af0b-36c48f9420b7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2611e5eb-6d2c-459f-9597-570b9d2f7fde Environmental → Air → Indoor EF 3.1 kg 4
69539600-f260-4736-884e-db7e9b0a66d5 Environmental → Air → Long-term EF 3.1 kg 0
c977e2cd-c87b-4db4-888f-658e65a200c3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d6b199c-dbe6-46a8-969c-e7e36d6175b4 Environmental → Air → Unknown EF 3.1 kg 4
a80a2e62-3aa3-4efd-8071-5ee9a75d6ccf Environmental → Ground → Agricultural EF 3.1 kg 4
fcff6f8d-3063-49fc-b130-af5c3a616604 Environmental → Ground → Non-agricultural EF 3.1 kg 4
d55218e207a2146ae42014ead9a17eca3aa06ef6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7af03056-78a5-47aa-981c-2e4435b62572 Environmental → Ground → Unknown EF 3.1 kg 4
5aa79ff7-8ee7-478e-80f5-803628640bd3 Environmental → Water → Long-term EF 3.1 kg 0
a75086a6-ebc6-4fe4-915f-f4666e422881 Environmental → Water → Ocean EF 3.1 kg 4
ce44831e-375d-4107-9116-084983e2c49f Environmental → Water → Surface water EF 3.1 kg 4
2a081c294422f1b7f01065aef39681e0ed3c3305 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
e8a256de-25fd-4755-a392-c18e70cd63a1 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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