Consensus flow list

Dicrotophos

fo-9b716a565e7897e0

Identity

Type
NeutralMolecule
CAS
141-66-2
EC
205-494-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
63 across every transformer

Structure

Structure diagram for Dicrotophos

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

What it is used for

4

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
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

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string VEENJGZXVHKXNB-VOTSOKGWSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+
Isomeric SMILES string chemrof:isomeric_smiles_string COP(=O)(OC)O/C(C)=C/C(=O)N(C)C
IUPAC name chemrof:IUPAC_name (1E)-3-(dimethylamino)-1-methyl-3-oxoprop-1-en-1-yl dimethyl phosphate
Molecular formula chemrof:molecular_formula C8H16NO5P
Molecular mass chemrof:molecular_mass 237.192
Monoisotopic mass chemrof:monoisotopic_mass 237.076609, 237.07661
SMILES string chemrof:smiles_string COP(=O)(OC)OC(C)=CC(=O)N(C)C

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
beilstein beilstein:1880084 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=141-66-2 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/TC3ABF10.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:38658 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.004.996 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.002 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0872 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9023914 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=370784 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1876467 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B541I65WBL enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J205.640B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.269G enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18656 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18656 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55952 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163647 enrich_references.pubchem_identifier_url
ppdb ppdb:224 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5371560 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3017 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q411748 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dicrotophos enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
041fd213-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-b129-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
16c2b540-986e-42e5-8dc1-8b937734a8f2 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-b128-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b12a-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-b127-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b125-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-b12e-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a14f07a7c3e8e6ca841ef842db00de7615cf71af Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-b126-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-b12c-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b12f-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-b12b-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-b12d-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (63 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-9b716a565e7897e0",
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    {
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      "@value": "3-Dimethoxyphosphinoyloxy-N,N-dimethylisocrotonamide",
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    },
    {
      "@value": "3-Hydroxy-N,N-dimethyl-cis-crotonamide dimethyl phosphate",
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    {
      "@value": "Bidrin",
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    },
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      "@value": "Karbicron",
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    },
    {
      "@value": "Oleobidrin",
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      "@value": "Phosphoric acid, dimethyl ester, ester with 3-hydroxy-N,N-dimethylcrotonamide, (E)-",
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    },
    {
      "@value": "trans-Bidrin",
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