RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0154608 | |
---|---|---|
RefMet name | NA-Lys 18:1(9Z) | |
Systematic name | N-(9Z-octadecenoyl)-lysine | |
Synonyms | PubChem Synonyms | |
Exact mass | 410.350843 (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 | C24H46N2O3 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 202532 (Download molfile/View MW Metabolite Database details) | |
InChI | ||
InChIKey | JJUHWJQHBPFMJW-DYYZXQNHSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCCCN)C(=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-Lys 18:1(9Z) in NMDR studies | ||
Species | Plot Species distribution | |
Sample source | Plot Sample source(tissue) distribution | |
Studies | NMDR Studies reporting NA-Lys 18:1(9Z) | |
External Links | ||
Pubchem CID | 87767835 | |
ChEBI ID | 149731 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |