RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0155396 | |
---|---|---|
RefMet name | FAHFA 18:2(9Z,12Z)/3O-12:0 | |
Systematic name | 3-O-9Z,12Z-octadecadienoyl-3-hydroxydodecanoic acid | |
Synonyms | PubChem Synonyms | |
Exact mass | 478.40221 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
Formula | C30H54O4 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 203424 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | WVIMAOMKHUXZQT-HDXUUTQWSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CC(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Fatty Acyls | |
Main Class | Fatty esters | |
Sub Class | FAHFA (Fatty acid ester of hydroxy fatty acids) | |
Distribution of FAHFA 18:2(9Z,12Z)/3O-12:0 in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Platform | Platform (MS/NMR) used for detection | |
Chromatography | Chromatography methods used for detection | |
Studies | NMDR Studies reporting FAHFA 18:2(9Z,12Z)/3O-12:0 | |
External Links | ||
Pubchem CID | 171117422 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |