Consensus flow list

Identity

Type
NeutralMolecule
CAS
77458-01-6
EC
623-723-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Pyraclofos

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
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

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QHGVXILFMXYDRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3
IUPAC name chemrof:IUPAC_name O-[1-(4-chlorophenyl)-1H-pyrazol-4-yl] O-ethyl S-propyl phosphorothioate
Molecular formula chemrof:molecular_formula C14H18ClN2O3PS
Molecular mass chemrof:molecular_mass 360.803
Monoisotopic mass chemrof:monoisotopic_mass 360.046428, 360.04643
SMILES string chemrof:smiles_string CCCSP(=O)(OCC)Oc1cnn(-c2ccc(Cl)cc2)c1

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
beilstein beilstein:8702515 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=77458-01-6 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=89784-60-1 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38876 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.131.141 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.152.376 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4058493 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/M0W5LEC929 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256939 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J209.334K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18406 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18406 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56051 enrich_references.pubchem_identifier_url
ppdb ppdb:563 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93460 enrich_references.pubchem_compound
vsdb vsdb:563 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q22808806 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3b237aed-bbd1-4799-ae3e-0d0afb84b2bc Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d6580d74-f0e8-4cf3-a185-8add921aec1f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
83104b69-6edd-4ca1-af38-064499a95f4b Environmental → Air → Indoor EF 3.1 kg 2
7cd12f11-a84c-4a68-a788-cf73f1d17d84 Environmental → Air → Long-term EF 3.1 kg 0
c8db0d22-77ed-410f-aa8f-24bbc0b87335 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
71c47f2d-2dc4-45a2-8de3-417def1ffdf1 Environmental → Air → Unknown EF 3.1 kg 2
2d918cc5-bf74-4436-bfad-9952b5253842 Environmental → Ground → Agricultural EF 3.1 kg 2
41298d9b-1f5c-47e7-b380-45e5bce6b319 Environmental → Ground → Non-agricultural EF 3.1 kg 2
22ca2c75c75d01603a83f863a7c2df2a08bd36a9 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
3b2625b7-cab4-4eda-bd42-1e797f52d2ad Environmental → Ground → Unknown EF 3.1 kg 2
3f8acb7a-8093-4fa5-8328-62d1fe2d4de8 Environmental → Water → Long-term EF 3.1 kg 0
c2b62344-258f-4cf0-82e5-8446e0ba8a1d Environmental → Water → Ocean EF 3.1 kg 2
86e69b36-6db5-4783-9360-738d7aa1e6d9 Environmental → Water → Surface water EF 3.1 kg 2
39074a53-817f-4c09-8562-49ee6022b9d9 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
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