Monoctanoin
13725
Reference
Monoctanoin Structure
Systematic / IUPAC Name: 2,3-Dihydroxypropyl octanoate
ID: Reference13725
Other Names:
AA-3537;
1-Monocaprylin;
Glyceryl 1-Monooctanoate;
1-Octanoyl-rac-glycerol
Formula: C11H22O4
Class: Endogenous Metabolites
Spectral Data
Monoctanoin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap ID-X with ETD_Cal Gateshead |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1138 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 1/14/2026 12:10:18 PM |
Identificators
| InChI | InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3 |
| InChI Key | GHBFNMLVSPCDGN-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCC(=O)OCC(CO)O |
| CAS | |
| Splash | |
| Other Names |
AA-3537; 1-Monocaprylin; Glyceryl 1-Monooctanoate; 1-Octanoyl-rac-glycerol |