Consensus flow list

Identity

Type
NeutralMolecule
CAS
55219-65-3
EC
259-537-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Triadimenol

What it is used for

3

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
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

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string BAZVSMNPJJMILC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
IUPAC name chemrof:IUPAC_name 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Molecular formula chemrof:molecular_formula C14H18ClN3O2
Molecular mass chemrof:molecular_mass 295.77
Monoisotopic mass chemrof:monoisotopic_mass 295.10875, 295.108754
SMILES string chemrof:smiles_string CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1

Known URLs

26

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=55219-65-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:9666 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.054.106 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0032493 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL520275 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/NFR7MRD9NM enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0259143 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J11.445F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11127 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11127 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-27940 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=67741 enrich_references.pubchem_identifier_url
pesticides pesticides:triadimenol enrich_references.chebi_xrefs
ppdb ppdb:649 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/41368 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=208297 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21341686 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22102610 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22944149 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23661341 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23876258 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24342051 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24615979 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25011125 enrich_references.chebi_xrefs
reaxys reaxys:616470 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q15632882 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d509e-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fe0acd60-3ddc-11dd-a82f-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cdb564e0-091d-4a5e-bf55-61435d61b3e4 Environmental → Air → Indoor EF 3.1 kg 4
fe0acd60-3ddc-11dd-a82e-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a830-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fe0acd60-3ddc-11dd-a82d-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a82b-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-957c-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f672ac07e98984df9451d99f8e26763aba9bf960 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a82c-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a832-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-957d-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a831-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
fe0acd60-3ddc-11dd-a833-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e7ce49bd58662efc",
  "prefLabel": [
    {
      "@value": "Triadimenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1H-1,2,4-Triazole-1-ethanol, β-(4-chlorophenoxy)-α-(1,1-dimethylethyl)-",
      "@language": "en",
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    },
    {
      "@value": "2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol",
      "@language": "en",
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      }
    },
    {
      "@value": "alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol",
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      }
    },
    {
      "@value": "Bayfidan",
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    },
    {
      "@value": "Bayfidan EW",
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    },
    {
      "@value": "Baytan",
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    },
    {
      "@value": "Baytan 15",
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    },
    {
      "@value": "Baytan N",
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    },
    {
      "@value": "Baytan TF 3479B",
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    },
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    },
    {
      "@value": "Photon 60GR",
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      }
    },
    {
      "@value": "Shavit",
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      }
    },
    {
      "@value": "Spinnaker",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tribute (fungicide)",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vydine",
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      "@value": "β-(4-Chlorophenoxy)-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol",
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  ],
  "properties": {
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