Consensus flow list

Identity

Type
MolecularComplex
CAS
556-22-9
EC
209-116-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Glyodin

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
fungicide CHEBI:24127 A substance used to destroy fungal pests. 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

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DYMNZCGFRHLNMT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C20H40N2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20;1-2(3)4/h2-19H2,1H3,(H,21,22);1H3,(H,3,4)
IUPAC name chemrof:IUPAC_name 1H-Imidazole, 2-heptadecyl-4,5-dihydro-, acetate (1:1)
Molecular formula chemrof:molecular_formula C20H40N2.C2H4O2, C22H44N2O2
Molecular mass chemrof:molecular_mass 368.606
Monoisotopic mass chemrof:monoisotopic_mass 368.340279, 368.34028
SMILES string chemrof:smiles_string CC(=O)O.CCCCCCCCCCCCCCCCCC1=NCCN1

Known URLs

10

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=556-22-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82081 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.289 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1040297 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0J7MNN3GX2 enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18940 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18940 enrich_references.pubchem_identifier_url
ppdb ppdb:2794 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11159 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27155733 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d85b3b05-5929-4992-8332-72c9c092465d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
41ac988d-2c8d-42c3-b1a0-8d58553e4fe9 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
e0de1e80-81ce-4a2f-b8d1-1e87b285526d Environmental → Air → Indoor EF 3.1 kg 2
d3d0f812-4ef2-4149-abc1-178ec51ed51c Environmental → Air → Long-term EF 3.1 kg 0
76f2b71d-f24b-4539-8158-f6afb66f7c4f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
aff5527c-0654-4dd3-8248-91b3343dc136 Environmental → Air → Unknown EF 3.1 kg 2
d0a858cd-2535-4729-8054-eaf87f1f8904 Environmental → Ground → Agricultural EF 3.1 kg 2
5ee34180-cc1d-4fb1-b12b-5e1196f5cc2c Environmental → Ground → Non-agricultural EF 3.1 kg 2
33147ca82f0c0e2de1ab206e14803c8c40bafc6e Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
db0eb5d5-702f-458c-85d8-c42a7d1bedde Environmental → Ground → Unknown EF 3.1 kg 2
1e676724-c2af-4fb7-b2ab-6ce31a039a9b Environmental → Water → Long-term EF 3.1 kg 0
14cbc92b-72a9-4965-94ab-f13c11e27ea6 Environmental → Water → Ocean EF 3.1 kg 2
04acf515-a5bf-4698-9440-ff35ccb0f1d8 Environmental → Water → Surface water EF 3.1 kg 2
2637a9e4-c18c-47b9-ba09-6de04922044d 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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      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=556-22-9"
        }
      ],
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "209-116-8"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=209-116-8"
      ],
      "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/MolecularComplex"
  ],
  "http://purl.obolibrary.org/obo/RO_0000087": [
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_24127",
      "rdfs:label": "fungicide",
      "http://www.w3.org/2004/02/skos/core#definition": "A substance used to destroy fungal 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"
      }
    },
    {
      "@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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