Consensus flow list

Metaldehyde

fo-820353983479a219

Identity

Type
NeutralMolecule
CAS
108-62-3
EC
203-600-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Metaldehyde

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
molluscicide CHEBI:33904 A substance used to destroy pests of the phylum Mollusca. 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

19

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GKKDCARASOJPNG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3
IUPAC name chemrof:IUPAC_name 2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane
Molecular formula chemrof:molecular_formula C8H16O4
Molecular mass chemrof:molecular_mass 176.212
Monoisotopic mass chemrof:monoisotopic_mass 176.104859, 176.10486
SMILES string chemrof:smiles_string CC1OC(C)OC(C)OC(C)O1

Known URLs

42

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
agr agr:IND606799146 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=108-62-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:81931 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.274 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1034715 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2251334 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4CI033VJYG enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0254499 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2912.50.10.00 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3606.90.40.00 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3808.99.30.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.423F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18744 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18744 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=Metaldehyde enrich_references.chebi_xrefs
pesticides pesticides:metaldehyde enrich_references.chebi_xrefs
ppdb ppdb:446 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/61021 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1332 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/21031743 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27767044 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28322378 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28612314 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/28707368 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29037936 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29310277 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/29978088 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30062348 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30648204 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31176226 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31837843 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/31968507 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32077221 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32414366 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32563145 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32623240 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32668301 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/32668565 enrich_references.chebi_xrefs
reaxys reaxys:107739 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q412303 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q72488817 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Metaldehyde enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
65b9f711-fcd1-43d0-b9bd-53058633c596 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ea9ae214-0eca-44a6-b172-a74157b0d2c6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
091b4bb4-ac02-49f3-910a-3b322d2f6b51 Environmental → Air → Indoor EF 3.1 kg 4
7d7c2ece-eaba-48bc-8c4a-d5010b2370cd Environmental → Air → Long-term EF 3.1 kg 0
4989a147-db85-4398-b3c0-f6b180b4a496 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ded87b2f-bd7d-48ec-8d52-c04d9bac62d8 Environmental → Air → Unknown EF 3.1 kg 4
deeb7d56-80f6-475a-8d80-925ab0704687 Environmental → Ground → Agricultural EF 3.1 kg 4
ce224ae2-bf5d-4d4e-8257-edca3f343875 Environmental → Ground → Non-agricultural EF 3.1 kg 4
a3e5e849-1606-4333-a316-fa7b74882765 Environmental → Ground → Unknown EF 3.1 kg 4
a82f7192-7d25-4141-b774-5cb26575cbba Environmental → Water → Long-term EF 3.1 kg 0
060a17a5-f8ca-4e47-9793-461931071bcd Environmental → Water → Ocean EF 3.1 kg 4
176e66ad-0b8d-42a0-9433-0efa8100e674 Environmental → Water → Surface water EF 3.1 kg 4
16777f50-3d13-494e-a954-2f06efcc4bd4 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-820353983479a219",
  "prefLabel": [
    {
      "@value": "Metaldehyde",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
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  ],
  "altLabel": [
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2,4,6,8-tetramethyl-1,3,5,7-tetraoxacyclooctane",
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      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane",
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      "@language": "en",
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    },
    {
      "@value": "acetaldehyde tetramer",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "acetaldehyde, tetramer",
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    },
    {
      "@value": "Antimilice",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Ariotox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Blitzem",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Cekumeta",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Corry's Slug Death",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Deadline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Defender",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Halizan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "metacetaldehyde",
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      "@lang": "en",
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    },
    {
      "@value": "Metaldehyd",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Metason",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    },
    {
      "@value": "Slug-Tox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Slugfest",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
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  ],
  "properties": {
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      "attested_by": {
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    {
      "@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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