Brightway Flows 1.0
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Undecanoic Acid

fo-fa21cfe422d805b1

Identity

Type
Neutral molecule
CAS
112-37-8
EC
203-964-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Undecanoic Acid

Alternative labels

11

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ZDPHROOEEOARMN-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
IUPAC name chemrof:IUPAC_name Undecanoic Acid
Molecular formula chemrof:molecular_formula C11H22O2
Molecular mass chemrof:molecular_mass 186.295
Monoisotopic mass chemrof:monoisotopic_mass 186.16198
SMILES string chemrof:smiles_string CCCCCCCCCCC(=O)O

Known URLs

27

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=112-37-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32368 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.604 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021690 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB16857 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7885 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL108030 enrich_references.pubchem_identifier_url
femaflavor.org https://www.femaflavor.org/flavor-library/undecanoic-acid enrich_references.pubchem_identifier_url
gmelin gmelin:102992 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/138ON3IIQG enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000947 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.993C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C17715 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C17715 enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01010011 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01010011 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=33 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C152801 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:11A enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/UD9N2BTQKWX9 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8180 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/16332663 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/1739406 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18516670 enrich_references.chebi_xrefs
reaxys reaxys:1759287 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q425988 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Undecylic_acid enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
fbf63993-f980-41b4-8aa4-503fb1da5dcf Environmental → Air → Aircraft cruise height EF 3.1 kg 2
36076c7e-2da0-48eb-8967-f7a3aa4a3921 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
996b7209-6740-4ee6-90dc-a8469cefe23d Environmental → Air → Indoor EF 3.1 kg 2
0ca42091-991b-4e4b-b70f-873542a3c78b Environmental → Air → Long-term EF 3.1 kg 0
220680bd-6432-4188-8011-f301a316c648 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6d9c48ec-d1d3-48c5-a4f7-2a4ef4c44fd1 Environmental → Air → Unknown EF 3.1 kg 2
5077da9d-e56b-4f3e-a675-477f4a0b947c Environmental → Ground → Agricultural EF 3.1 kg 2
b0b71581-67ee-4cd5-9c18-80fa7ad01f09 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4e04c16f-e016-4d88-b06c-390688da5c97 Environmental → Ground → Unknown EF 3.1 kg 2
e2401dcd-03a3-4d51-955b-276dabebc48e Environmental → Water → Long-term EF 3.1 kg 0
54cf34bd-5dc8-4d2e-b22d-c2fc183aa87f Environmental → Water → Ocean EF 3.1 kg 2
b8c0b1a2-d654-45d3-ba17-7de0791f0026 Environmental → Water → Surface water EF 3.1 kg 2
cd3ef8fd-c208-45ce-bb0e-161fb99ba36a Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fa21cfe422d805b1",
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    {
      "@value": "Undecanoic Acid",
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