Tridecanedioic Acid
fo-0f53208b3cf47832
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
Alternative labels
7- 1,11-Undecanedicarboxylic acid
- 1,13-Tridecanedioic acid
- Brassilic acid
- Brassylic acid
- Undecane-1,11-dicarboxylic acid
- α,ω-Tridecanedioic acid
- ω-Carboxylauric acid
Properties
| Property | Value |
|---|---|
| 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
18Where 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 | 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)
Full record
Flow object JSON
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}Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works