Consensus flow list

Identity

Type
NeutralMolecule
CAS
625-45-6
EC
210-894-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Methoxyacetic acid

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string RMIODHQZRUFFFF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
IUPAC name chemrof:IUPAC_name Methoxyacetic acid
Molecular formula chemrof:molecular_formula C3H6O3
Molecular mass chemrof:molecular_mass 90.078
Monoisotopic mass chemrof:monoisotopic_mass 90.03169, 90.031694
SMILES string chemrof:smiles_string COCC(=O)O

Known URLs

23

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=625-45-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:132098 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.904 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1031591 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7300 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1697714 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/F11T1H7Q7W enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0041929 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J502I enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49634 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-12993 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12251 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3265 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23290149 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23290947 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24798094 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25606576 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26001161 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26006246 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26802500 enrich_references.chebi_xrefs
reaxys reaxys:635800 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q20054532 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Methoxyacetic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
36e97eea-95d0-4d61-bca7-b23552dc8381 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
4b209d10-21b5-4336-bb87-eb8efc456d1d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
307b450e-796e-4242-a6a7-22d7baad3bea Environmental → Air → Indoor EF 3.1 kg 4
16bcd717-c092-4fa5-91f9-bec3ba15ec30 Environmental → Air → Long-term EF 3.1 kg 0
3af2b61f-a0a6-4514-b975-de91fe1379ec Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
04f52614-b225-4315-8a58-aab0f26533b5 Environmental → Air → Unknown EF 3.1 kg 4
01defab8-1927-4830-bfdd-593e40c8acdb Environmental → Ground → Agricultural EF 3.1 kg 4
983d0357-a24f-4556-9f3b-a56442d691c7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
ce5f8f1f-45aa-4468-98e5-8ed36d802d9f Environmental → Ground → Unknown EF 3.1 kg 4
3c9e0ee7-a0ad-432f-9b20-a32cb92dc7d7 Environmental → Water → Long-term EF 3.1 kg 0
70f94aa9-ef5b-4fe6-9b61-7fdfd0903f81 Environmental → Water → Ocean EF 3.1 kg 4
e74b10e0-0a4c-4be1-be95-8d037fd37ad0 Environmental → Water → Surface water EF 3.1 kg 4
1b80ea20-3ff3-4663-9b86-363ccf3ca3b9 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-8317d798b76ff4e7",
  "prefLabel": [
    {
      "@value": "Methoxyacetic acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Methoxyacetic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-methoxyacetic Acid/n",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "Acetic acid, 2-methoxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acetic acid, methoxy-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "CH3OCH2COOH",
      "@language": "en",
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      }
    },
    {
      "@value": "Methoxyethanoic acid",
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