| Number |
mr1972 |
| Declustering Potential(DP) |
40 |
| Collision Energy(CE) |
30 |
| Observed mass(Da) |
331.2836 |
| Exact mass(Da) |
331.2843 |
| Accurate mass error(ppm) |
2.08 |
| Molecular formula |
C19H38O4 |
| Ionization model |
|
| Ret. Time(min) |
23.20 |
| Precursor ions(Q1) |
331.2836 |
| Product ions(Q3) |
313.2 |
| Main fragments |
313.2, 285.8, 257.7, 177.3 |
| Compound |
1-Monopalmitin |
| Identification |
putative |
| class |
Fatty acid |
| Organism |
Morinda citrifolia L |
| Reference |
Pawlus et. al (2005) |
| CV(%) |
71.48 |
| H2 |
0.40 |
| ChEBI_ID |
CHEBI:75811 |
| Agricola Citation Links |
|
| ArrayExpress Database Links |
|
| BRAND Names |
|
| Beilstein Registry Numbers |
|
| BioModels Database Links |
|
| CAS Registry Numbers |
542-44-9;; |
| COMe Database Links |
|
| ChEBI ID |
|
| ChEBI Name |
rac-1-monopalmitoylglycerol;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
|
| CiteXplore Citation Links |
|
| Definition |
A rac-1-monoacylglycerol in which the acyl group is palmitoyl.;; |
| DrugBank Database Links |
|
| Formulae |
C19H38O4;; |
| Gmelin Registry Numbers |
|
| INN |
|
| IUPAC Names |
rac-2,3-dihydroxypropyl palmitate;; |
| InChI |
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3;; |
| InChIKey |
QHZLMUACJMDIAE-UHFFFAOYSA-N;; |
| IntAct Database Links |
|
| IntEnz Database Links |
|
| KEGG COMPOUND Database Links |
|
| KEGG DRUG Database Links |
|
| KEGG GLYCAN Database Links |
|
| LIPID MAPS class Database Links |
|
| LIPID MAPS instance Database Links |
LMGL01010001;; |
| Last Modified |
23 Oct 2015;; |
| Mass |
330.50260;; |
| MolBase Database Links |
|
| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
164347379;; |
| PubMed Central Citation Links |
|
| PubMed Citation Links |
4455214;;24029555;; |
| RESID Database Links |
|
| Reactome Database Links |
|
| Rhea Database Links |
|
| SABIO-RK Database Links |
|
| SMILES |
CCCCCCCCCCCCCCCC(=O)OCC(O)CO;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
rac-palmitic acid alpha-monoglyceride;;rac-glyceryl palmitate;;rac-glycerol 1-palmitate;;rac-glycerol 1-monopalmitate;;rac-alpha-monopalmitin;;rac-2,3-dihydroxypropyl hexadecanoate;;alpha-Monopalmitin;;alpha -monopalmitin;;a-Monopalmitin;;Rac-1-Palmitoylg |
| UM-BBD compID Database Links |
|
| UniProt Database Links |
|
| ChEBI Image |
 |
| |
|
