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Oxycarboxin

fo-3255893c995cae5e

Identity

Type
Neutral molecule
CAS
5259-88-1
EC
226-066-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Oxycarboxin

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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string AMEKQAFGQBKLKX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
IUPAC name chemrof:IUPAC_name 2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide 4,4-dioxide
Molecular formula chemrof:molecular_formula C12H13NO4S
Molecular mass chemrof:molecular_mass 267.306
Monoisotopic mass chemrof:monoisotopic_mass 267.056529, 267.05653
SMILES string chemrof:smiles_string CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1

Known URLs

23

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:IND89017547 enrich_references.chebi_xrefs
agr agr:IND89036207 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=5259-88-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:7858 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.697 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8034792 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=232673 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1712057 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NPU5GBN17X enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C10956 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C10956 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67674 enrich_references.pubchem_identifier_url
pesticides pesticides:oxycarboxin enrich_references.chebi_xrefs
ppdb ppdb:500 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21330 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/21587625 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/4772377 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5441309 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6732737 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6776177 enrich_references.chebi_xrefs
reaxys reaxys:1432554 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q15965116 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Oxycarboxin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f4584dd5-9599-44f1-a079-230d53cb9de5 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
75fbaee3-e5ad-458a-9ba1-527f329af936 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f1b5a6bc-8264-480a-bcf9-b53f3e0f658e Environmental → Air → Indoor EF 3.1 kg 2
cec569c8-f4f8-4708-b710-9d3de29a02d8 Environmental → Air → Long-term EF 3.1 kg 0
550c7ee5-c003-4f18-8eb7-3cbf94a0a855 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
444b981d-220d-4ee9-9316-8d0bd0ffce7a Environmental → Air → Unknown EF 3.1 kg 2
fb04dbc9-9a1c-43de-a8bd-5c8587d4c24e Environmental → Ground → Agricultural EF 3.1 kg 2
9c4d2295-42fa-4124-a7e8-ee97e38a109b Environmental → Ground → Non-agricultural EF 3.1 kg 2
53e76d37de7ce14cbb89df1163506197573522f4 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7fb2ee18-a448-4f6e-bfb5-8d0e1ca80e33 Environmental → Ground → Unknown EF 3.1 kg 2
ea5717c8-f7ce-4384-be25-db2d6608f6a5 Environmental → Water → Long-term EF 3.1 kg 0
4c0549f4-6e90-425e-9cd2-5c5ad96821d5 Environmental → Water → Ocean EF 3.1 kg 2
20d64765-84c7-416f-abbc-2d590854f435 Environmental → Water → Surface water EF 3.1 kg 2
8d7d3d9d-bcb0-4952-ae43-62502aa1feeb 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-3255893c995cae5e",
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