Consensus flow list

Identity

Type
NeutralMolecule
CAS
161050-58-4
EC
605-245-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Methoxyfenozide

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
insecticide CHEBI:24852 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. 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

13

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QCAWEPFNJXQPAN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
IUPAC name chemrof:IUPAC_name 3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
Molecular formula chemrof:molecular_formula C22H28N2O3
Molecular mass chemrof:molecular_mass 368.477
Monoisotopic mass chemrof:monoisotopic_mass 368.20999, 368.209993
SMILES string chemrof:smiles_string COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C

Known URLs

17

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=161050-58-4 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=211236-73-6 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38449 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.252 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3032628 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL55772 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/62A22651ZX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254547 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J981.614C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18525 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18525 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55869 enrich_references.pubchem_identifier_url
pesticides pesticides:methoxyfenozide enrich_references.chebi_xrefs
ppdb ppdb:461 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/105010 enrich_references.pubchem_compound
reaxys reaxys:8435860 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632812 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
64b1f556-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4d9a8790-3ddd-11dd-93a3-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2bcc0e46-5012-4799-9b15-fd2e979a6b42 Environmental → Air → Indoor EF 3.1 kg 4
4d9a8790-3ddd-11dd-93a2-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-93a4-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
4d9a8790-3ddd-11dd-93a1-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-939f-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-93a8-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a3f3106533c39ef7561d4cd69bc75ce142608d24 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-93a0-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-93a6-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-93a9-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-93a5-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
47959692d86bfeb3b52b1ec087b9a9dc87536916 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-93a7-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-6ae9aa886be4b5ee",
  "prefLabel": [
    {
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  ],
  "altLabel": [
    {
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    {
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    },
    {
      "@value": "Benzoic acid, 3-methoxy-2-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide",
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    },
    {
      "@value": "Methoxyphenozide",
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    },
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