9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)- (CHEM058843)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-02 22:49:43 UTC | ||||||||
| Update Date | 2026-08-21 20:19:03 UTC | ||||||||
| Accession Number | CHEM058843 | ||||||||
| Identification | |||||||||
| Common Name | 9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)- | ||||||||
| Class | Small Molecule | ||||||||
| Description | 9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)- belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. This lipid-like molecule has the formula C21H40O3 and an average molecular weight of 340.55 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms |
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| Chemical Formula | C21H40O3 | ||||||||
| Average Molecular Mass | 340.548 g/mol | ||||||||
| Monoisotopic Mass | 340.298 g/mol | ||||||||
| CAS Registry Number | 71685-99-9 | ||||||||
| IUPAC Name | propan-2-yl (Z,12R)-12-hydroxyoctadec-9-enoate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)OC(C)C | ||||||||
| InChI Identifier | InChI=1S/C21H40O3/c1-4-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19(2)3/h11,14,19-20,22H,4-10,12-13,15-18H2,1-3H3/b14-11-/t20-/m1/s1 | ||||||||
| InChI Key | SDYPTODXHIAHDF-KAMYIIQDSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra | Not Available | ||||||||
| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| DrugBank ID | Not Available | ||||||||
| HMDB ID | Not Available | ||||||||
| FooDB ID | Not Available | ||||||||
| Phenol Explorer ID | Not Available | ||||||||
| KNApSAcK ID | Not Available | ||||||||
| BiGG ID | Not Available | ||||||||
| BioCyc ID | Not Available | ||||||||
| METLIN ID | Not Available | ||||||||
| PDB ID | Not Available | ||||||||
| Wikipedia Link | Not Available | ||||||||
| Chemspider ID | Not Available | ||||||||
| ChEBI ID | Not Available | ||||||||
| PubChem Compound ID | 92281378 | ||||||||
| Kegg Compound ID | Not Available | ||||||||
| YMDB ID | Not Available | ||||||||
| ECMDB ID | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
