Consensus flow list

Acrinathrin

fo-405279e36f3ca449

Identity

Type
NeutralMolecule
CAS
101007-06-1
EC
600-147-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
59 across every transformer

Structure

Structure diagram for Acrinathrin

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

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
acaricide CHEBI:22153 A substance used to destroy pests of the subclass Acari (mites and ticks). 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

9

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YLFSVIMMRPNPFK-WEQBUNFVSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1/C=C\C(=O)OC(C(F)(F)F)C(F)(F)F
IUPAC name chemrof:IUPAC_name (S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-2,2-dimethyl-3-{(1Z)-3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]prop-1-en-1-yl}cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C26H21F6NO5
Molecular mass chemrof:molecular_mass 541.444
Monoisotopic mass chemrof:monoisotopic_mass 541.13239, 541.132392
SMILES string chemrof:smiles_string CC1(C)C(C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Known URLs

15

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:9301805 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=101007-06-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39091 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.126.096 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3041584 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2287507 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/QUI1AZ37K6 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J550.692A enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18408 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18408 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56165 enrich_references.pubchem_identifier_url
ppdb ppdb:16 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6436606 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q342726 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Acrinathrin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
580b0a66-e3a4-4fbf-a9ff-87a9c2748772 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
5169eb70-7696-4291-b420-bacd7261edf0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e400e7e8-185d-4e8f-a04a-8352eb07727f Environmental → Air → Indoor EF 3.1 kg 2
ef1eee34-9281-4d34-80eb-c3f5aaaec30a Environmental → Air → Long-term EF 3.1 kg 0
c863f8e4-3475-4c35-ba07-a83d30ce2c7a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e62da1aa-1d5e-4099-a9c8-31bb058e224c Environmental → Air → Unknown EF 3.1 kg 2
c5a616af-baf8-44ca-ac52-59216f715435 Environmental → Ground → Agricultural EF 3.1 kg 2
345cc245-30fe-4ecb-98aa-4f32918d30fe Environmental → Ground → Non-agricultural EF 3.1 kg 2
1f609f779df33cb59bae2f2d866f7658e9f1f1d3 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
a8ed7e5d-35ca-4683-bd35-20616aae8cce Environmental → Ground → Unknown EF 3.1 kg 2
e99a99f9-2f1c-412f-8477-2727d518d0b4 Environmental → Water → Long-term EF 3.1 kg 0
3f59745d-5bed-4b6f-a278-f9e871cf8f1a Environmental → Water → Ocean EF 3.1 kg 2
3feea732-c547-4dce-8f83-4d5dde881710 Environmental → Water → Surface water EF 3.1 kg 2
f726293c-559e-4dde-b8e6-1ba5d4a61980 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (59 changes)

Open the changes page

Full record

Flow object JSON 
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