Consensus flow list

Azoxystrobin

fo-8ce597e335764010

Identity

Type
NeutralMolecule
CAS
131860-33-8
EC
603-524-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Azoxystrobin

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

What it is used for

4

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

30

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WFDXOXNFNRHQEC-GHRIWEEISA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
Isomeric SMILES string chemrof:isomeric_smiles_string CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
IUPAC name chemrof:IUPAC_name (alphaE)-2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-alpha-(methoxymethylene) benzeneacetic acid methyl ester
Molecular formula chemrof:molecular_formula C22H17N3O5
Molecular mass chemrof:molecular_mass 403.394
Monoisotopic mass chemrof:monoisotopic_mass 403.11682, 403.116821
SMILES string chemrof:smiles_string COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1

Known URLs

36

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=131860-33-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:40909 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.127.964 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0032520 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB07401 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL230001 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NYH7Y08IPM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J588.357A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18558 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18558 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56398 enrich_references.pubchem_identifier_url
patent patent:EP382375 enrich_references.chebi_xrefs
patent patent:US5395837 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:AZO enrich_references.chebi_xrefs
pesticides pesticides:azoxystrobin enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL230001 enrich_references.pubchem_identifier_url
ppdb ppdb:54 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3034285 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/20818521 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21153804 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21671616 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21777591 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21884765 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22092932 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22224459 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22278367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24125711 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24405376 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24700092 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24726979 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25011117 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25090100 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25196149 enrich_references.chebi_xrefs
reaxys reaxys:8350244 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2013860 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Azoxystrobin enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
64b1ce66-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9c82-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
5aa2a41e-932f-4588-bb52-cde0974f2ef0 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9c81-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9c83-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9c80-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9a8e-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9a93-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
86f9226689cb4db67f63e6b5414b9b30a00c697e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9a8f-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9a91-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a7fd-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9a90-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
9abe565b3023337c9e2bbdce05ca2d4f5e0cf505 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-9a92-0050c2490048 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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  "properties": {
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