Consensus flow list

Picoxystrobin

fo-f08c6600ccae0b65

Identity

Type
NeutralMolecule
CAS
117428-22-5
EC
601-478-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Picoxystrobin

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

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
fungicide CHEBI:24127 A substance used to destroy fungal 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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IBSNKSODLGJUMQ-SDNWHVSQSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H16F3NO4/c1-24-11-14(17(23)25-2)13-7-4-3-6-12(13)10-26-16-9-5-8-15(22-16)18(19,20)21/h3-9,11H,10H2,1-2H3/b14-11+
Isomeric SMILES string chemrof:isomeric_smiles_string CO/C=C(/C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1
IUPAC name chemrof:IUPAC_name methyl (2E)-3-methoxy-2-[2-({[6-(trifluoromethyl)pyridin-2-yl]oxy}methyl)phenyl]prop-2-enoate
Molecular formula chemrof:molecular_formula C18H16F3NO4
Molecular mass chemrof:molecular_mass 367.323
Monoisotopic mass chemrof:monoisotopic_mass 367.10314, 367.103143
SMILES string chemrof:smiles_string COC=C(C(=O)OC)c1ccccc1COc1cccc(C(F)(F)F)n1

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=117428-22-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83197 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.110.665 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9047542 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL522759 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/62DH7GEL1P enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.596.744G enrich_references.pubchem_identifier_url
patent patent:WO2012020774 enrich_references.chebi_xrefs
pesticides pesticides:picoxystrobin enrich_references.chebi_xrefs
ppdb ppdb:527 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11285653 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21056720 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21651885 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23371808 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23818971 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24374376 enrich_references.chebi_xrefs
reaxys reaxys:11322204 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632879 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
e405e5a3-6907-4494-ad95-2bb0c1a2fee4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f04136ad-7491-44fc-bc91-b3e06893dedc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
30ff07a1-61e6-4391-b470-4645a3736d0f Environmental → Air → Indoor EF 3.1 kg 4
3d28b54f-e47a-4844-87f9-c8a3e059e056 Environmental → Air → Long-term EF 3.1 kg 0
f86e20c1-27ba-43a1-af24-16f207dc44ef Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
402ec0da-9be3-4ab5-bcda-ef2db6017d7f Environmental → Air → Unknown EF 3.1 kg 4
f94bd30c-b337-49e3-871e-4d3a9d01cf51 Environmental → Ground → Agricultural EF 3.1 kg 4
58e1381c-ffbf-4625-a7b7-2457b12089e2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f78afd0ac5ef35f3b90b7ebad004f08a5da3680e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
29b8a9ed-df42-42ec-857c-163349bb91b2 Environmental → Ground → Unknown EF 3.1 kg 4
b4aefda2-7039-4799-934c-7f5526acd1fa Environmental → Water → Long-term EF 3.1 kg 0
d90cb817-f81f-4951-8f16-ba07ed3dd99c Environmental → Water → Ocean EF 3.1 kg 4
3990d1de-ce98-4d33-ad5f-924f49516b95 Environmental → Water → Surface water EF 3.1 kg 4
3001b891-704a-4add-9c59-4bbf3393ed23 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
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