12-hydroxyoctadecanoic Acid
fo-96f35b76eacc8e9d
Identity
- Type
- Neutral molecule
- CAS
- 106-14-9
- EC
- 203-366-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 56 across every transformer
Structure
Alternative labels
23- 12-HSA
- 12-Hydroacid
- 12-Hydroacid HP
- 12-hydroxy-octadecanoic acid
- 12-hydroxystearic acid
- 12HAS-I
- ADK Stab LS 12
- Barolub FTO
- Cerit Fac 3
- Ceroxin GL
- DL-12-Hydroxyoctadecanoic acid
- DL-12-Hydroxystearic acid
- Harwax A
- Hoctol A
- HSA
- Hydroxystearin R
- KOW
- Loxiol G 21
- Octadecanoic acid, 12-hydroxy-
- Pelemol HSA
- Solid X
- Solplus D 310
- Stearic acid, λ-hydroxy-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ULQISTXYYBZJSJ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C18H36O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21) |
| IUPAC name chemrof:IUPAC_name | 12-hydroxyoctadecanoic Acid |
| Molecular formula chemrof:molecular_formula | C18H36O3 |
| Molecular mass chemrof:molecular_mass | 300.483 |
| Monoisotopic mass chemrof:monoisotopic_mass | 300.266445, 300.26645 |
| SMILES string chemrof:smiles_string | CCCCCCC(O)CCCCCCCCCCC(=O)O |
Known URLs
20Where 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:IND20463953 | enrich_references.chebi_xrefs |
| agr | agr:IND43939351 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=106-14-9 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27924-99-8 | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:85208 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.003.061 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.048.170 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID8026725 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=2385 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL292352 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/933ANU3H2S | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0061706 | enrich_references.chebi_xrefs |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J48.641H | enrich_references.pubchem_identifier_url |
| LIPID MAPS | https://www.lipidmaps.org/databases/lmsd/LMFA02000130 | enrich_references.chebi_xrefs |
| lipidmaps.org | https://lipidmaps.org/databases/lmsd/LMFA02000130 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=2166 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7789 | enrich_references.pubchem_compound |
| reaxys | reaxys:1726730 | enrich_references.chebi_xrefs |
| rxnav.nlm.nih.gov | https://rxnav.nlm.nih.gov/id/rxnorm/1368628 | enrich_references.pubchem_identifier_url |
| Wikidata | https://www.wikidata.org/wiki/Q10843743 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 0407a6ef-513a-4403-86b1-e9bf99060035 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 1cf2b82a-20b9-4e55-bdc5-fe940c70e9e2 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 199f68d7-8deb-45b4-8908-2434cc289821 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 1e25cfe3-e915-414f-8486-c0bb8290ba7c | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 7ceea22e-41a9-4a73-98b1-84658728e3df | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| bd08dbe7-1cfd-49cf-8332-7b00198abcfe | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| a56604f5-3b9e-470b-93ca-e12cbc5e4329 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| e346d64c-5189-4cc7-a315-dfee5d98a111 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a4990d68-0e92-4003-a7a2-4c5a79dcc88a | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 50fe2e41-5b55-498b-bf97-e69cea70258f | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 0de9d023-2073-4db6-9fc9-678f901557bc | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| e8ed2025-58c5-4cbb-a0cf-168c73102791 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| dafaf6a7-6dc5-45ee-9394-f41495c5f785 | 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