Consensus flow list

2-methylglutaric Acid

fo-1666c44e118c658e

Identity

Type
Neutral molecule
CAS
617-62-9
EC
210-521-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 2-methylglutaric Acid

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AQYCMVICBNBXNA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H10O4/c1-4(6(9)10)2-3-5(7)8/h4H,2-3H2,1H3,(H,7,8)(H,9,10)
IUPAC name chemrof:IUPAC_name 2-methylglutaric Acid
Molecular formula chemrof:molecular_formula C6H10O4
Molecular mass chemrof:molecular_mass 146.142
Monoisotopic mass chemrof:monoisotopic_mass 146.057909
SMILES string chemrof:smiles_string CC(CCC(=O)O)C(=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=617-62-9 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:68567 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.566 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.149.885 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021632 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=408456 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5941 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1971317 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U6769P7A6Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000422 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.514B enrich_references.pubchem_identifier_url
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01170084 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=2005 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12046 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=166962 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22329225 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e81a3d53-05ba-42e3-9d52-380ae0efc2df Environmental → Air → Aircraft cruise height EF 3.1 kg 2
6c105649-7c88-4305-92f0-1df8b5cc53e7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9672606f-b79d-46e8-9427-52c3d1522fec Environmental → Air → Indoor EF 3.1 kg 2
98ec86f9-b469-41b1-aa76-fa5ef290b38e Environmental → Air → Long-term EF 3.1 kg 0
b21ef5cd-2930-42b5-85da-b91722c38c6f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
246f2234-3642-442b-b4f4-71eb2fc6bf87 Environmental → Air → Unknown EF 3.1 kg 2
77d285b3-29c9-4ac8-b216-284f01bff088 Environmental → Ground → Agricultural EF 3.1 kg 2
d659edec-ab14-491a-86db-5df78fcd6705 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2978cd90-59b5-47ed-87e0-19bacc4eee52 Environmental → Ground → Unknown EF 3.1 kg 2
c93be3ce-a9b0-4110-b9df-6dc032e8156b Environmental → Water → Long-term EF 3.1 kg 0
2c734fc8-3a58-45ee-804b-240fd8b6a292 Environmental → Water → Ocean EF 3.1 kg 2
c87f0603-4d76-4096-826e-e003e6c4ebf4 Environmental → Water → Surface water EF 3.1 kg 2
bf3f1e7c-83db-4d10-a27a-ef90f53c51c0 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "210-521-7"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=210-521-7"
      ],
      "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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