Consensus flow list

Identity

Type
Neutral molecule
CAS
4839-46-7
EC
225-425-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for 3,3-dimethylglutaric Acid

Alternative labels

5

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DUHQIGLHYXLKAE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H12O4/c1-7(2,3-5(8)9)4-6(10)11/h3-4H2,1-2H3,(H,8,9)(H,10,11)
IUPAC name chemrof:IUPAC_name 3,3-dimethylglutaric Acid
Molecular formula chemrof:molecular_formula C7H12O4
Molecular mass chemrof:molecular_mass 160.169
Monoisotopic mass chemrof:monoisotopic_mass 160.073559, 160.07356
SMILES string chemrof:smiles_string CC(C)(CC(=O)O)CC(=O)O

Known URLs

16

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=4839-46-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68502 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.113 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9063617 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14987 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=49114 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1605317 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TF8F62R475 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002441 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J135.759J enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01170086 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=2007 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20984 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/22770225 enrich_references.chebi_xrefs
reaxys reaxys:1765439 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q27136982 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38b3a761-b865-4407-8abb-503c93da5769 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
1b1288a5-c909-4048-90c2-989d22f5cc10 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
673710c8-134d-4668-a024-7ff3e1342d87 Environmental → Air → Indoor EF 3.1 kg 2
5f8d6835-517d-4b56-b896-d150aae1874f Environmental → Air → Long-term EF 3.1 kg 0
d063ad63-1fb6-46ce-9c09-b0aa0fb418f2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
957f1f5d-44f3-43a1-873e-79120069c6a8 Environmental → Air → Unknown EF 3.1 kg 2
bef30c5e-0708-437b-afef-64188f6c8fd1 Environmental → Ground → Agricultural EF 3.1 kg 2
85ced245-e2b9-4e35-aedb-32285ca31a1b Environmental → Ground → Non-agricultural EF 3.1 kg 2
2b24aabd-d696-4adf-89a4-958741a3835c Environmental → Ground → Unknown EF 3.1 kg 2
c04db8a6-6d0d-4205-8dde-81182e99f23d Environmental → Water → Long-term EF 3.1 kg 0
5cfb9684-eecf-4f03-a529-47ecfaa27fa9 Environmental → Water → Ocean EF 3.1 kg 2
2b0f75d6-7c3c-4093-b90e-c943a78ae441 Environmental → Water → Surface water EF 3.1 kg 2
77b5dcdd-fac7-4f69-9630-c0100c3d0969 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
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    "seed_source": "EF 3.1",
    "semantic_typing": {
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        "225-425-0"
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "http://www.w3.org/2004/02/skos/core#definition": [
    {
      "@value": "An α,ω-dicarboxylic acid that is glutaric acid substituted by two methyl groups at the C-3 position.",
      "@language": "en",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.chebi_definition",
        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  ],
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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