Consensus flow list

Identity

Type
NeutralMolecule
CAS
69327-76-0
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Buprofezin

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

14

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PRLVTUNWOQKEAI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
Molecular formula chemrof:molecular_formula C16H23N3OS
Molecular mass chemrof:molecular_mass 305.447
Monoisotopic mass chemrof:monoisotopic_mass 305.15618, 305.156183
SMILES string chemrof:smiles_string CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C

Known URLs

4

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:1010518 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=69327-76-0 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3218 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C10912 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
310b3d5c-0579-4380-9113-d258d5641b35 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
1357cb0e-6f43-4ef5-88b9-aa4f1d564bf8 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3c038f37-1e40-4d19-a8c2-3d359a75ec2d Environmental → Air → Indoor EF 3.1 kg 4
bedc1a4b-d41d-4dfd-91cb-69daf081c86f Environmental → Air → Long-term EF 3.1 kg 0
ab35396f-36d2-4c87-894c-fd4e7c50624b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
0cd8e243-892a-4bfb-90c3-b145b044f766 Environmental → Air → Unknown EF 3.1 kg 4
afc27706-328f-4ff0-8b52-d877d4174361 Environmental → Ground → Agricultural EF 3.1 kg 4
1b166950-0df9-48fb-a395-2df3ec8d2ca9 Environmental → Ground → Non-agricultural EF 3.1 kg 4
0ebd8e5c00aa92fad6e10df5d1b6df636aa9c481 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
021c2d46-60cc-4da9-8b8b-7dbbb59defba Environmental → Ground → Unknown EF 3.1 kg 4
65ed615a-0c8e-4492-a0b8-d52933e0eef1 Environmental → Water → Long-term EF 3.1 kg 0
ccf3d5d4-268a-418e-b1c0-733f65de97c3 Environmental → Water → Ocean EF 3.1 kg 4
7419308d-8fb2-4cad-8084-dce3f2b4ca91 Environmental → Water → Surface water EF 3.1 kg 4
bb3827cb-c29d-428e-a145-de2c4a18636c 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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    "http://semanticscience.org/resource/CHEMINF_000446": {
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        "69327-76-0"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=69327-76-0"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=69327-76-0"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24852",
      "rdfs:label": "insecticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill members of the class <em>Insecta</em>.  In common usage, any substance used for preventing, destroying, repelling or controlling insects.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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