Consensus flow list

Identity

Type
Neutral molecule
CAS
693-23-2
EC
211-746-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Dodecanedioic Acid

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string TVIDDXQYHWJXFK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H22O4/c13-11(14)9-7-5-3-1-2-4-6-8-10-12(15)16/h1-10H2,(H,13,14)(H,15,16)
IUPAC name chemrof:IUPAC_name Dodecanedioic Acid
Molecular formula chemrof:molecular_formula C12H22O4
Molecular mass chemrof:molecular_mass 230.304
Monoisotopic mass chemrof:monoisotopic_mass 230.151809, 230.15181
SMILES string chemrof:smiles_string O=C(O)CCCCCCCCCCC(=O)O

Known URLs

35

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:IND44425877 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=53037-60-8 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=693-23-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:4676 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.680 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3027297 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=400242 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182356 enrich_references.pubchem_identifier_url
gmelin gmelin:261693 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/978YU42Q6I enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000623 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.533C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C02678 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C02678 enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01170009 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01170009 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1933 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10670 enrich_references.chebi_xrefs
patent patent:DE102007054497 enrich_references.chebi_xrefs
patent patent:EP2389349 enrich_references.chebi_xrefs
patent patent:EP2407444 enrich_references.chebi_xrefs
patent patent:KR20110125221 enrich_references.chebi_xrefs
patent patent:WO2010085712 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/12736 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=130223 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11544559 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19222421 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19428350 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22242741 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2302418 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24166667 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/9591306 enrich_references.chebi_xrefs
reaxys reaxys:1782580 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q5287812 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Dodecanedioic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eba37c7c-30be-4566-b923-8c26c3c24928 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
52544e48-db12-4834-981d-76c43cdc06ed Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
3a4fc14d-1c4a-4ed0-87fb-4fd3c46fc8ea Environmental → Air → Indoor EF 3.1 kg 4
f16e7fed-0ce3-48b3-b742-f8c32274009f Environmental → Air → Long-term EF 3.1 kg 0
9cdef73f-eef4-4482-8671-ca8e5cf36031 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
47b058a0-d57e-4af5-bc30-9bffe986b5fe Environmental → Air → Unknown EF 3.1 kg 4
426c5647-5b80-48c1-bd72-af3d7cb32e3c Environmental → Ground → Agricultural EF 3.1 kg 4
68fd16b0-5789-4a57-a4d7-87f532791abd Environmental → Ground → Non-agricultural EF 3.1 kg 4
244130f8-0e6d-4bb3-a8d3-cbaaab18ec90 Environmental → Ground → Unknown EF 3.1 kg 4
5b8ed2b6-7a92-4256-96e3-e060707de59c Environmental → Water → Long-term EF 3.1 kg 0
797b4098-aa57-4a4e-9a30-ca33081eb821 Environmental → Water → Ocean EF 3.1 kg 4
aafb7909-db7a-4859-b134-ec0ea232d0d8 Environmental → Water → Surface water EF 3.1 kg 4
06bad863-64b3-4fef-8505-485bd4d467af Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c2fee99f72f59025",
  "prefLabel": [
    {
      "@value": "Dodecanedioic Acid",
      "@language": "en",
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  "altLabel": [
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      "@value": "1,10-decanedicarboxylic acid",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1,10-dicarboxydecane",
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      "provenance": {
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    },
    {
      "@value": "1,12-dodecanedioic acid",
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          "http://purl.obolibrary.org/obo/CHEBI_4676"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Corfree M 2",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "decamethylenedicarboxylic acid",
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    {
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      }
    },
    {
      "@value": "n-Dodecanedioic acid",
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    },
    {
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  "properties": {
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    },
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