Consensus flow list

Pyrethrin I

fo-4aa7c378cc8c7cd8

Identity

Type
NeutralMolecule
CAS
121-21-1
EC
204-455-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
66 across every transformer

Structure

Structure diagram for Pyrethrin I

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

What it is used for

2

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
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

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ROVGZAWFACYCSP-NEWSRXKRSA-N, ROVGZAWFACYCSP-VUMXUWRFSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H28O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-/t16-,18+,19+/m1/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C=C/C=C\CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CC1=O
IUPAC name chemrof:IUPAC_name (1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dien-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Molecular formula chemrof:molecular_formula C21H28O3
Molecular mass chemrof:molecular_mass 328.452
Monoisotopic mass chemrof:monoisotopic_mass 328.20384, 328.203845
SMILES string chemrof:smiles_string C=CC=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O

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:2004306 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=121-21-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27815 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.051 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4034499 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/T018I9EQOL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J108.004K enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C07594 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D08452 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C07594 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D08452 enrich_references.pubchem_identifier_url
knapsack knapsack:C00003056 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51466 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5281045 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=529217 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q7263468 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pyrethrin_I enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
6db6f3dd-13f8-456d-a164-ad1456fdee0a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9a537f71-7335-4c1a-a898-881c640a2dff Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
971d0d33-1b2a-469e-8c04-138c24ae96d4 Environmental → Air → Indoor EF 3.1 kg 2
2bc8c167-1aa0-418f-a2a5-37c474b91954 Environmental → Air → Long-term EF 3.1 kg 0
71e2b9c6-53ec-468b-a3c4-39403d55e476 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
450a5650-ad51-4dac-b726-9f41a91d350b Environmental → Air → Unknown EF 3.1 kg 2
65d98f84-e36b-47e5-84a7-e5d245bcfbf7 Environmental → Ground → Agricultural EF 3.1 kg 2
42aa2483-aab2-40c5-ba65-789ead936392 Environmental → Ground → Non-agricultural EF 3.1 kg 2
1919ad4b4eb1b0c846f468dc58af4430971bb8e6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
d956d6ae-2bb1-4525-982c-a2480c89e473 Environmental → Ground → Unknown EF 3.1 kg 2
e2657ff3-177f-445b-ba43-07b31cd55ee0 Environmental → Water → Long-term EF 3.1 kg 0
4b07f39c-eb64-4975-a7c0-05ded4fda592 Environmental → Water → Ocean EF 3.1 kg 2
19638aa4-aa3f-4f74-95b2-372b12fd7698 Environmental → Water → Surface water EF 3.1 kg 2
4ab7c04e-899f-48e5-9ce2-10a581f85927 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (66 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "(+)-Pyrethronyl (+)-trans-chrysanthemate",
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