Consensus flow list

Identity

Type
NeutralMolecule
CAS
90717-03-6
EC
402-790-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Quinmerac

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
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
plant growth regulator CHEBI:26155 A chemical, natural or artificial, that can affect the rate of growth of a plant. ChEBI

Alternative labels

3

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ALZOLUNSQWINIR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)
IUPAC name chemrof:IUPAC_name 7-Chloro-3-methyl-8-quinolinecarboxylic acid
Molecular formula chemrof:molecular_formula C11H8ClNO2
Molecular mass chemrof:molecular_mass 221.643
Monoisotopic mass chemrof:monoisotopic_mass 221.024356, 221.02436
SMILES string chemrof:smiles_string Cc1cnc2c(C(=O)O)c(Cl)ccc2c1

Known URLs

24

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=90717-03-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:84199 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.458 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.126.553 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1042364 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2448918 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0OFY83UPMH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0257043 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J661.713A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18891 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18891 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=87126 enrich_references.pubchem_identifier_url
patent patent:EP0445420 enrich_references.chebi_xrefs
patent patent:EP2272349 enrich_references.chebi_xrefs
pesticides pesticides:quinmerac enrich_references.chebi_xrefs
ppdb ppdb:578 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91749 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11080318 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11520869 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11871567 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25551708 enrich_references.chebi_xrefs
reaxys reaxys:8392904 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2124519 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Quinmerac enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
4a741b88-61dd-4bc3-8ec7-11d5ccee2390 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4e686152-00f6-44f3-b666-011faab31a3f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b8c3247b-d3f5-4643-ab39-626fb66168dc Environmental → Air → Indoor EF 3.1 kg 4
2e24c8e5-757a-4b70-9380-579a96142d7b Environmental → Air → Long-term EF 3.1 kg 0
56b576aa-19e1-459e-b449-af7b1bafcdb9 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b6cb1a76-6b39-45cf-a1c6-ca282e8b2260 Environmental → Air → Unknown EF 3.1 kg 4
1ff27ee2-23f8-4747-826a-f5ce5bbcf666 Environmental → Ground → Agricultural EF 3.1 kg 4
fe16c3b2-408b-483b-b774-b1c5468de872 Environmental → Ground → Non-agricultural EF 3.1 kg 4
998a7a5a8f56b36a98405d643d6a5f122d52bb80 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
02d3e0f3-a198-4ec3-a7cc-4d5d5f85843f Environmental → Ground → Unknown EF 3.1 kg 4
8e424066-2351-47f4-9e15-81ab785bc690 Environmental → Water → Long-term EF 3.1 kg 0
c505bef3-5396-4b6c-85b4-ab3c4f7d4963 Environmental → Water → Ocean EF 3.1 kg 4
8a3e107d-3693-49e7-b39e-ba8d0ebf860e Environmental → Water → Surface water EF 3.1 kg 4
a03d4296-1e57-44d5-95eb-92a53ed8cc8a 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-e1cafaa8e3bf20a9",
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    {
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