RefMet Compound Details
RefMet ID, RefMet name, exact mass and formula | ||
RefMet ID | RM0139446 | |
---|---|---|
RefMet name | Gaidic acid | |
Alternative name | FA 16:1(2E) | |
Systematic name | 2-hexadecenoic acid | |
Synonyms | PubChem Synonyms | |
Sum Composition | FA 16:1 | View other entries in RefMet with this sum composition |
Exact mass | 254.224580 (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 | C16H30O2 | View other entries in RefMet with this formula |
Molecular descriptors | ||
Molfile | 488 (Download molfile/View MW Metabolite Database details) | |
InChI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h14-15H,2-13H2,1H3,(H,17,18)/b15-14+ | |
InChIKey | ZVRMGCSSSYZGSM-CCEZHUSRSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
SMILES | CCCCCCCCCCCCC/C=C/C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Chemical/Biochemical Classification | ||
Super Class | Fatty Acyls | |
Main Class | Fatty acids | |
Sub Class | Unsaturated FA | |
Distribution of Gaidic acid 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 Gaidic acid | |
External Links | ||
Pubchem CID | 5282743 | |
LIPID MAPS | LMFA01030054 | |
ChEBI ID | 37252 | |
HMDB ID | HMDB0010735 | |
Chemspider ID | 4445870 | |
Structural annotation level | ||
Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) |