Detail Information

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