Consensus flow list

Identity

Type
Neutral molecule
CAS
81335-77-5
EC
617-222-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Imazethapyr

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XVOKUMIPKHGGTN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)
IUPAC name chemrof:IUPAC_name (±)-5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)nicotinic acid
Molecular formula chemrof:molecular_formula C15H19N3O3
Molecular mass chemrof:molecular_mass 289.335
Monoisotopic mass chemrof:monoisotopic_mass 289.14264, 289.142641
SMILES string chemrof:smiles_string CCc1cnc(C2=NC(C)(C(C)C)C(=O)N2)c(C(=O)O)c1

Known URLs

14

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=81335-77-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82022 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.112.972 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3024287 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1903400 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/72T2IN94I4 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0253406 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J126.319F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18865 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18865 enrich_references.pubchem_identifier_url
ppdb ppdb:395 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54740 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=179824 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22808273 enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
3e4dc5a6-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a19b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b769496b-e83c-40d5-ab43-b6b438763701 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a19a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a19c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a199-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a197-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-9a22-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1ee3f81fae5e23fb1ddb05b674db042f586cae43 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a198-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a19e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a23-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a19d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
2acc14b129497307b87f93e208d3f46ad2c89223 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-9a21-0050c2490048 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
{
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