Consensus flow list

Identity

Type
NeutralMolecule
CAS
110488-70-5
EC
404-200-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Dimethomorph

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
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. 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

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QNBTYORWCCMPQP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3
IUPAC name chemrof:IUPAC_name 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine
Molecular formula chemrof:molecular_formula C21H22ClNO4
Molecular mass chemrof:molecular_mass 387.863
Monoisotopic mass chemrof:monoisotopic_mass 387.123736, 387.12374
SMILES string chemrof:smiles_string COc1ccc(C(=CC(=O)N2CCOCC2)c2ccc(Cl)cc2)cc1OC

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=110488-70-5 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81848 enrich_references.chebi_id_link
KEGG https://www.genome.jp/entry/C18583 enrich_references.chebi_xrefs
patent patent:EP294907 enrich_references.chebi_xrefs
patent patent:US4933449 enrich_references.chebi_xrefs
pesticides pesticides:dimethomorph enrich_references.chebi_xrefs
ppdb ppdb:245 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23496017 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25306333 enrich_references.chebi_xrefs
reaxys reaxys:8396839 enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
64b1ce48-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
08a91e70-3ddc-11dd-9e85-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
1dba7c7c-a4a1-41f1-bd94-3d08cc723f75 Environmental → Air → Indoor EF 3.1 kg 4
08a91e70-3ddc-11dd-9e84-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9e86-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
08a91e70-3ddc-11dd-9e83-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-8f62-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
4d9a8790-3ddd-11dd-8f67-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f51befa10ed9bb7ca4d5837d2c4880196b350c26 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
4d9a8790-3ddd-11dd-8f63-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
4d9a8790-3ddd-11dd-8f65-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-8f68-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
4d9a8790-3ddd-11dd-8f64-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
4d9a8790-3ddd-11dd-8f66-0050c2490048 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-29a21e0815040222",
  "prefLabel": [
    {
      "@value": "Dimethomorph",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2Xi)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(morpholin-4-yl)prop-2-en-1-one",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Propen-1-one, 3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-",
      "@language": "en",
      "@lang": "en",
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        ],
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    },
    {
      "@value": "3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-(4-morpholinyl)-2-propen-1-one",
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    },
    {
      "@value": "Acrobat",
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      "@value": "Athlete",
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      "@value": "Festival C",
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    },
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      "@value": "Xixianmalin",
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  ]
}

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