Consensus flow list

Identity

Type
NeutralMolecule
CAS
865318-97-4
EC
688-188-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Ametoctradin

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

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GGKQIOFASHYUJZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3
IUPAC name chemrof:IUPAC_name 5-ethyl-6-octyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Molecular formula chemrof:molecular_formula C15H25N5
Molecular mass chemrof:molecular_mass 275.4
Monoisotopic mass chemrof:monoisotopic_mass 275.210996, 275.211
SMILES string chemrof:smiles_string CCCCCCCCc1c(CC)nc2ncnn2c1N

Known URLs

27

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:IND606350043 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=865318-97-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:83398 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.214.791 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2058203 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/J84P40P7BV enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.050.707J enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=144215 enrich_references.pubchem_identifier_url
patent patent:WO2011108759 enrich_references.chebi_xrefs
pesticides pesticides:ametoctradin enrich_references.chebi_xrefs
ppdb ppdb:1648 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15604010 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/24176337 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25577097 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25784492 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25914236 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26551250 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29704498 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31077540 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32625530 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32982997 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/34849171 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/35419937 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/36656908 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/38225090 enrich_references.chebi_xrefs
reaxys reaxys:12394099 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15116845 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
11df0cb8-8f57-4260-94c6-c53e7e25ef1c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a677fff6-d48b-40a3-a0c9-2bb3ab1388c5 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ad037df5-c279-4616-b365-1c1dc5e47ca0 Environmental → Air → Indoor EF 3.1 kg 4
cb303cda-e10f-4233-8f61-d13c9843c908 Environmental → Air → Long-term EF 3.1 kg 0
9ee3774f-0b95-4b2f-b5db-5d3ffab8ab08 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
928a0a47-8ccd-4884-9909-2ac3452feb08 Environmental → Air → Unknown EF 3.1 kg 4
eb6e4089-2df3-44e7-b2cb-345014a14741 Environmental → Ground → Agricultural EF 3.1 kg 4
ab215c7a-2a64-4c61-a913-6cf1db2dc257 Environmental → Ground → Non-agricultural EF 3.1 kg 4
cacbc9bbca13fa8995542476a616d4cd6cf17059 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
7cc62732-b7c2-41df-909b-7ebaead5affd Environmental → Ground → Unknown EF 3.1 kg 4
d10955a6-0d00-40dd-90ee-1f73ba836a2f Environmental → Water → Long-term EF 3.1 kg 0
5e747607-8298-4f17-b972-b38c666a6170 Environmental → Water → Ocean EF 3.1 kg 4
e6ce8b93-5cd0-4df5-b2c8-e20802f0af8e Environmental → Water → Surface water EF 3.1 kg 4
c58ab686-68c2-42d6-8928-a602402ac41f Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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  "flow_object_id": "fo-2436c3b71ad8c76b",
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