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Paraoxon

fo-4edee882d83c555c

Identity

Type
Neutral molecule
CAS
311-45-5
EC
206-221-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
60 across every transformer

Structure

Structure diagram for Paraoxon

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

25

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string WYMSBXTXOHUIGT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name O,O-diethyl O-p-nitrophenyl phosphate
Molecular formula chemrof:molecular_formula C10H14NO6P
Molecular mass chemrof:molecular_mass 275.197
Monoisotopic mass chemrof:monoisotopic_mass 275.05587, 275.055874
SMILES string chemrof:smiles_string CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1

Known URLs

33

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
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=311-45-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27827 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.005.657 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6024046 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13495 enrich_references.pubchem_identifier_url
drugcentral drugcentral:4683 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/4683 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=404110 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL23838 enrich_references.pubchem_identifier_url
gmelin gmelin:51821 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q9CX8P80JW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0013035 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.657J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06606 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06606 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D10529 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42178 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C99562 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/TMCZ654DMMTQ enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL23838 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9395 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3018 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24149933 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24220671 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24357355 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24384224 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24413757 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24486155 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24598740 enrich_references.chebi_xrefs
reaxys reaxys:1915526 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0088 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q416108 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Paraoxon enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
9dbbe250-5dcb-4cc3-8248-01b4775551a0 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e8d33a53-f2c8-4100-aee0-715bfe39d8b6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bba2e218-af2c-4ff7-afd0-fff2b1309998 Environmental → Air → Indoor EF 3.1 kg 2
c67b2b8c-39c9-4eab-8c26-529badc8b849 Environmental → Air → Long-term EF 3.1 kg 0
b8743ddc-2a55-4aef-8317-9540fa909ac8 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
8ce0ea7b-8074-4c56-a0c7-5ddadbbce3b8 Environmental → Air → Unknown EF 3.1 kg 2
312a387c-be7b-43da-ad1c-44995c32f234 Environmental → Ground → Agricultural EF 3.1 kg 2
17c588e7-0958-4fe5-9c4a-2fb92687cbfd Environmental → Ground → Non-agricultural EF 3.1 kg 2
725827bd-018c-43c4-944d-5d212ccc5473 Environmental → Ground → Unknown EF 3.1 kg 2
f74052f0-d6d7-46ac-be7c-ad7c15562c76 Environmental → Water → Long-term EF 3.1 kg 0
dbeabbf2-e715-4a72-acfb-746c01da83e4 Environmental → Water → Ocean EF 3.1 kg 2
c928752a-a1bc-447b-9c7a-7db80b6fdb85 Environmental → Water → Surface water EF 3.1 kg 2
7fa929aa-7bac-49a5-be99-4f98de392371 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (60 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-4edee882d83c555c",
  "prefLabel": [
    {
      "@value": "Paraoxon",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Nitrophenyl diethyl phosphate",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "Chinorto",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diethyl 4-nitrophenyl Phosphate",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "diethyl p-nitrophenyl phosphate",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "diethyl paraoxon",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ester 25",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "ethyl paraoxon",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Eticol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Fosfakol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    },
    {
      "@value": "MeSH ID: D010261",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Mintacol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Miotisal",
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        ],
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      }
    },
    {
      "@value": "Miotisal A",
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        ],
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      }
    },
    {
      "@value": "O,O-diethyl O-p-nitrophenyl phosphate",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "O-(4-Nitrophenyl) O,O-diethyl phosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=311-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Oxyparathion",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=311-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-nitrophenyl diethyl phosphate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Paraoxan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:311-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=311-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Paraoxon-ethyl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:311-45-5",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=311-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphachole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=311-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phosphacol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_27827"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phosphakol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=311-45-5"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "phosphoric acid diethyl 4-nitrophenyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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    },
    {
      "@value": "Phosphoric acid, diethyl 4-nitrophenyl ester",
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      }
    },
    {
      "@value": "Phosphoric acid, diethyl p-nitrophenyl ester",
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  "properties": {
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