Consensus flow list

Identity

Type
NeutralMolecule
CAS
57369-32-1
EC
611-516-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pyroquilon

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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XRJLAOUDSILTFT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
IUPAC name chemrof:IUPAC_name 1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one
Molecular formula chemrof:molecular_formula C11H11NO
Molecular mass chemrof:molecular_mass 173.215
Monoisotopic mass chemrof:monoisotopic_mass 173.08406, 173.084064
SMILES string chemrof:smiles_string O=C1CCc2cccc3c2N1CC3

Known URLs

21

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
agr agr:IND92004973 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=57369-32-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:45141 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.123.139 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6058132 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB02756 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL144366 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/WS195Z0WJH enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0037113 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.751J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18487 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18487 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47617 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:PYQ enrich_references.chebi_xrefs
pesticides pesticides:pyroquilon enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL144366 enrich_references.pubchem_identifier_url
ppdb ppdb:575 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/91665 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24646830 enrich_references.chebi_xrefs
reaxys reaxys:1455831 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q19298813 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
da3caf6d-f695-4527-a7e3-942a43bad4df Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9124c7d0-de36-4023-ac23-920f1f42559e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
994a65e1-9189-4c9f-b29c-50994fa4fbc7 Environmental → Air → Indoor EF 3.1 kg 2
cb5ff0a1-07f2-4fb2-a832-0fc9159042a5 Environmental → Air → Long-term EF 3.1 kg 0
64625b6b-ceeb-4397-9432-778f3428b4cc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
00a08e1e-06fc-4911-9d5d-ea9e836b3540 Environmental → Air → Unknown EF 3.1 kg 2
2d0276ea-78b8-4d54-b518-5383420e49f7 Environmental → Ground → Agricultural EF 3.1 kg 2
95029d06-4bdb-4549-98b4-f3b702203e22 Environmental → Ground → Non-agricultural EF 3.1 kg 2
bf49f2315e2ea5097d0626a85101d0c206211ce0 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
c00d50d0-2a8c-47cd-b59c-33a0e5f14a52 Environmental → Ground → Unknown EF 3.1 kg 2
6d3f521f-a00e-4a00-9fa7-940fc23ecddd Environmental → Water → Long-term EF 3.1 kg 0
aa131352-9001-4ca0-af2c-932cf7d122cf Environmental → Water → Ocean EF 3.1 kg 2
6a627f22-6d4e-4398-b534-b0385458ed41 Environmental → Water → Surface water EF 3.1 kg 2
6890bd72-15ec-458b-a374-a22cbde7f84d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-288058bf75240742",
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  ],
  "altLabel": [
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    },
    {
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