Consensus flow list

Identity

Type
NeutralMolecule
CAS
34681-10-2
EC
252-139-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Butocarboxim

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

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SFNPDDSJBGRXLW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)
IUPAC name chemrof:IUPAC_name 3-(Methylthio)-2-butanone O-((methylamino)carbonyl)oxime
Molecular formula chemrof:molecular_formula C7H14N2O2S
Molecular mass chemrof:molecular_mass 190.268
Monoisotopic mass chemrof:monoisotopic_mass 190.077599
SMILES string chemrof:smiles_string CNC(=O)ON=C(C)C(C)SC

Known URLs

9

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=34681-10-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.047.385 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5058062 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/N64057402F enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55877 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C163634 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/36879 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126677980 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butocarboxim enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
f1d8af87-6246-4d00-9a31-e7567fd3ed0e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c104997d-97a1-4d9e-87c5-4039abfbba31 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
859db895-d828-4bda-beb8-a679ea124bb0 Environmental → Air → Indoor EF 3.1 kg 2
bad28823-d43a-4256-a725-26edbc69b5ef Environmental → Air → Long-term EF 3.1 kg 0
b79b2f38-176d-4a84-a7da-c2bc5bebeb1a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
629fdf1f-1013-4dfd-a6b1-be2980e043ac Environmental → Air → Unknown EF 3.1 kg 2
8ac49319-5ed0-410e-8a0a-90979c39f9d6 Environmental → Ground → Agricultural EF 3.1 kg 2
11cd03d8-9e19-4d28-a4a3-0b9b5fb7dd79 Environmental → Ground → Non-agricultural EF 3.1 kg 2
3325d20a8ea7cd366abfda1693b34aea625d0628 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
8f090dc3-6f59-4fde-bc70-ab0a7f11a62e Environmental → Ground → Unknown EF 3.1 kg 2
8efbd403-3bf6-4a6e-b0dc-e6a1e24468b5 Environmental → Water → Long-term EF 3.1 kg 0
d677a31b-f779-4641-800d-00df8655b1d4 Environmental → Water → Ocean EF 3.1 kg 2
c4cf0189-acfa-4c3f-9319-8e2e2d763859 Environmental → Water → Surface water EF 3.1 kg 2
b2aced00-ac3f-4f99-8bbf-67591c5c58c6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_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_22153",
      "rdfs:label": "acaricide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy pests of the subclass <em>Acari</em> (mites and ticks).",
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_33286",
      "rdfs:label": "agrochemical",
      "http://www.w3.org/2004/02/skos/core#definition": "An agrochemical is a substance that is used in agriculture or horticulture.",
      "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_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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