RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0135015 | |
---|---|---|
RefMet name | NA-Taurine 22:0 | |
Alternative name | N-Docosanoyl taurine | |
Systematic name | N-(docosenyl)-taurine | |
Synonyms | PubChem Synonyms | |
Exact mass | 447.338231 (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 | C24H49NO4S | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 4569 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C24H49NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(26)25-22-23-30(27,28)29/h2-23H2,1H3,(H,25,26)(H,27,2 8,29) | |
InChIKey | SAIMYQVCHHQQMU-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)NCCS(=O)(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Fatty Acyls | |
Main Class | Fatty amides | |
Sub Class | N-acyl amines | |
Distribution of NA-Taurine 22:0 in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Studies | NMDR Studies reporting NA-Taurine 22:0 | |
External Links | ||
Pubchem CID | 42607333 | |
LIPID MAPS | LMFA08020083 | |
ChEBI ID | 156045 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |