Showing metabocard for MG(0:0/16:0/0:0) (BMDB0011533)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
Record Information
Version1.0
Creation Date2016-10-03 18:20:14 UTC
Update Date2020-05-21 16:27:02 UTC
BMDB IDBMDB0011533
Secondary Accession Numbers
  • BMDB11533
Metabolite Identification
Common NameMG(0:0/16:0/0:0)
DescriptionMG(0:0/16:0/0:0) belongs to the family of monoradyglycerols, which are glycerolipids lipids containing a common glycerol backbone to which at one fatty acyl group is attached. Their general formula is [R1]OCC(CO[R2])O[R3]. MG(0:0/16:0/0:0) is made up of one hexadecanoyl(R2).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1,3-Dihydroxypropan-2-yl palmitateChEBI
2-HexadecanoylglycerolChEBI
2-MonopalmitinChEBI
2-MonopalmitoylglycerolChEBI
2-O-PalmitoylglycerolChEBI
MG (0:0/16:0/0:0)ChEBI
1,3-Dihydroxypropan-2-yl palmitic acidGenerator
1-MonoacylglycerideHMDB
1-MonoacylglycerolHMDB
2-Hexadecanoyl-rac-glycerolHMDB
2-Palmitoyl-glycerolHMDB
b-MonoacylglycerolHMDB
beta-MonoacylglycerolHMDB
MAG(0:0/16:0)HMDB
MAG(16:0)HMDB
MG(0:0/16:0)HMDB
MG(16:0)HMDB
2-Palm-GLHMDB
2-PalmitoylglycerolMeSH
Chemical FormulaC19H38O4
Average Molecular Weight330.5026
Monoisotopic Molecular Weight330.277009704
IUPAC Name1,3-dihydroxypropan-2-yl hexadecanoate
Traditional Name1,3-dihydroxypropan-2-yl hexadecanoate
CAS Registry NumberNot Available
SMILES
[H]C(CO)(CO)OC(=O)CCCCCCCCCCCCCCC
InChI Identifier
InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3
InChI KeyBBNYCLAREVXOSG-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as 2-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 2-position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassMonoradylglycerols
Direct Parent2-monoacylglycerols
Alternative Parents
Substituents
  • 2-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
Origin
  • Endogenous
  • Exogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cell membrane
  • Membrane
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP5.77ALOGPS
logP5.08ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)14.28ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 ŲChemAxon
Rotatable Bond Count18ChemAxon
Refractivity94.11 m³·mol⁻¹ChemAxon
Polarizability42.12 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cell membrane
  • Membrane
Biospecimen Locations
  • All Tissues
  • Mammary Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
All TissuesExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0011533
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB003077
KNApSAcK IDNot Available
Chemspider ID110006
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound123409
PDB IDNot Available
ChEBI ID75455
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. Hepatic triacylglycerol lipase
General function:
Involved in heparin binding
Specific function:
Hepatic lipase has the capacity to catalyze hydrolysis of phospholipids, mono-, di-, and triglycerides, and acyl-CoA thioesters. It is an important enzyme in HDL metabolism. Hepatic lipase binds heparin (By similarity).
Gene Name:
LIPC
Uniprot ID:
Q3SZ79
Molecular weight:
56826.0
Reactions
DG(16:0/16:0/0:0) + Water → Palmitic acid + MG(0:0/16:0/0:0)details
MG(0:0/16:0/0:0) + Water → Glycerol + Palmitic aciddetails