Consensus flow list

Dimethadione

fo-f925674fe84fb06f

Identity

Type
Neutral molecule
CAS
695-53-4
EC
211-781-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Dimethadione

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JYJFNDQBESEHJQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
IUPAC name chemrof:IUPAC_name 2,4-Oxazolidinedione, 5,5-dimethyl-
Molecular formula chemrof:molecular_formula C5H7NO3
Molecular mass chemrof:molecular_mass 129.115
Monoisotopic mass chemrof:monoisotopic_mass 129.042593
SMILES string chemrof:smiles_string CC1(C)OC(=O)NC1=O

Known URLs

15

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=695-53-4 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:94613 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.712 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020478 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=30152 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=756741 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1099 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ALU9NPM703 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0061093 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.938H enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03838 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C171703 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3081 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124419 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27166437 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
310a203b-27f3-4da2-9d5b-96336e5d33a2 Environmental → Air → Aircraft cruise height EF 3.1 kg 0
0db59c53-c812-4fba-ae26-2e9424e7cb1d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 0
1634e81e-2ca3-4ef3-b346-6d9c2d502ed1 Environmental → Air → Indoor EF 3.1 kg 0
646f9695-3328-452a-9287-d6e7cbce6a83 Environmental → Air → Long-term EF 3.1 kg 0
6abf67a4-4a18-426f-b469-60e902dd2c98 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 0
f8705d88-159f-4ce3-94be-b5f35cab012d Environmental → Air → Unknown EF 3.1 kg 0
0f7e8f77-34d1-4fe9-90cc-8dd54e45cf75 Environmental → Ground → Agricultural EF 3.1 kg 0
3ab2804f-ca7e-47a5-974b-209f35a75157 Environmental → Ground → Non-agricultural EF 3.1 kg 0
f9568e44-eb73-4532-a7e9-6927a351ca77 Environmental → Ground → Unknown EF 3.1 kg 0
55cff34c-1314-4cde-96af-e7987adfb459 Environmental → Water → Long-term EF 3.1 kg 0
cde2b384-89bb-4e10-9b44-43e04da48a26 Environmental → Water → Ocean EF 3.1 kg 0
6d8b49a8-549b-476b-917e-ef5abdf0612f Environmental → Water → Surface water EF 3.1 kg 0
9d499544-b072-4c5b-a491-0355c0a240cb Environmental → Water → Unknown EF 3.1 kg 0

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "695-53-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=695-53-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=695-53-4"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "211-781-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=211-781-4"
      ],
      "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"
  ]
}

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