Consensus flow list

Identity

Type
Neutral molecule
CAS
505-52-2
EC
208-011-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tridecanedioic Acid

Alternative labels

7

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string DXNCZXXFRKPEPY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H24O4/c14-12(15)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h1-11H2,(H,14,15)(H,16,17)
IUPAC name chemrof:IUPAC_name Tridecanedioic Acid
Molecular formula chemrof:molecular_formula C13H24O4
Molecular mass chemrof:molecular_mass 244.331
Monoisotopic mass chemrof:monoisotopic_mass 244.167459, 244.16746
SMILES string chemrof:smiles_string O=C(O)CCCCCCCCCCCC(=O)O

Known URLs

18

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=505-52-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:73718 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.284 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021683 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9498 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187746 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PL3IQ40C34 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0002327 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J102.933I enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01170014 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01170014 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1938 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10458 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=124054 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11590734 enrich_references.chebi_xrefs
reaxys reaxys:1786404 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q2099072 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Brassylic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7e0abac8-c646-4438-8b16-a638aa2663bb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fdfb41bc-3eed-4660-9b50-21236057e8bc Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
77b0b8e4-c9d5-4021-bfac-fbe7a4685bdb Environmental → Air → Indoor EF 3.1 kg 4
e9d2e005-c0a9-47e5-9587-7bd7ec133b56 Environmental → Air → Long-term EF 3.1 kg 0
3b3062ba-2f85-49e8-b19b-38ef31a2901a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ea27f816-c5b3-4b71-a1fa-438f0905b243 Environmental → Air → Unknown EF 3.1 kg 4
a4764786-1993-4900-8c9b-51572ae9991f Environmental → Ground → Agricultural EF 3.1 kg 4
9460fa16-7f13-4391-9eab-a524e939859a Environmental → Ground → Non-agricultural EF 3.1 kg 4
4ace0228-f5e8-49ea-8944-19d9d948b10a Environmental → Ground → Unknown EF 3.1 kg 4
8aede76d-28d5-4fac-ba54-2a14a791260a Environmental → Water → Long-term EF 3.1 kg 0
bf020777-a901-4939-86aa-53a5a8f52343 Environmental → Water → Ocean EF 3.1 kg 4
208af9ad-fe75-4e00-8fda-915173adb6e5 Environmental → Water → Surface water EF 3.1 kg 4
a4ee1e52-d0af-43a4-9edf-df5f2cb12c83 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-0f53208b3cf47832",
  "prefLabel": [
    {
      "@value": "Tridecanedioic Acid",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,11-Undecanedicarboxylic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "1,13-Tridecanedioic acid",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Brassilic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Brassylic acid",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Undecane-1,11-dicarboxylic acid",
      "@language": "en",
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "α,ω-Tridecanedioic acid",
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    },
    {
      "@value": "ω-Carboxylauric acid",
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