Consensus flow list

Identity

Type
NeutralMolecule
CAS
82560-54-1
EC
617-356-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Benfuracarb

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 FYZBOYWSHKHDMT-UHFFFAOYSA-N, UFPBEOUEIWBEML-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H30N2O5S/c1-6-25-17(23)10-11-22(14(2)3)28-21-13-18(24)26-16-9-7-8-15-12-20(4,5)27-19(15)16/h7-9,14,21H,6,10-13H2,1-5H3
IUPAC name chemrof:IUPAC_name N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylethyl)-beta-alanine, ethyl ester
Molecular formula chemrof:molecular_formula C20H30N2O5S
SMILES string chemrof:smiles_string CCOC(=O)CCN(SNCC(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C

Known URLs

16

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:8347990 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=82560-54-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3014 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.114.867 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2041622 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2252178 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/807671FRZY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0248952 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J42.319J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11073 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11073 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=52998 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163590 enrich_references.pubchem_identifier_url
ppdb ppdb:63 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54886 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q817158 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
0ffcf788-2216-4094-aabe-cfddaeac4f96 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9f41f709-5f41-400e-93ee-7a02bbb17238 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
4fc69c1e-6860-4ac1-a1e8-5fc3f6f9a95e Environmental → Air → Indoor EF 3.1 kg 4
0c8cfbd0-de42-4c29-9996-6a1160d0b86a Environmental → Air → Long-term EF 3.1 kg 0
9af82e2a-0645-42ef-8c8f-69789773fe4b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ab0ab3cb-9272-47e2-938a-95672e10b551 Environmental → Air → Unknown EF 3.1 kg 4
be051f79-b094-438e-b808-09fb29fdb04e Environmental → Ground → Agricultural EF 3.1 kg 4
f68de9ab-3798-422d-9ae1-9464aa92fb48 Environmental → Ground → Non-agricultural EF 3.1 kg 4
bcde2bf220c5c02f9c0ba3d5c6e44043cff26067 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
de2e1e4d-050c-4fbb-82b5-61e5990889f7 Environmental → Ground → Unknown EF 3.1 kg 4
d1e7c3b7-f733-46e9-a03f-c08539f3d66f Environmental → Water → Long-term EF 3.1 kg 0
74929d4a-8736-440c-8ad2-127dc2c2aa05 Environmental → Water → Ocean EF 3.1 kg 4
3c9a4c02-929b-4310-b40a-366cd4ba9bf1 Environmental → Water → Surface water EF 3.1 kg 4
9496d2af-9a50-4f69-84f7-57d842e32591 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON
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