Showing metabocard for MG(18:1(9Z)/0:0/0:0) (BMDB0011567)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:20:54 UTC
Update Date2020-05-11 19:18:41 UTC
BMDB IDBMDB0011567
Secondary Accession Numbers
  • BMDB11567
Metabolite Identification
Common NameMG(18:1(9Z)/0:0/0:0)
DescriptionMG(18:1(9Z)/0:0/0:0) 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(18:1(9Z)/0:0/0:0) is made up of one 9Z-octadecenoyl(R1).
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1-(9Z-Octadecenoyl)-sn-glycerolChEBI
1-MonooleinChEBI
MAG(18:1)ChEBI
MAG(18:1/0:0)ChEBI
MAG(18:1omega9/0:0)ChEBI
MG(18:1(Omega-9)/0:0/0:0)ChEBI
MG(18:1)ChEBI
MG(18:1/0:0)ChEBI
MG(18:1Omega9/0:0)ChEBI
sn-1-MonooleoylglycerolChEBI
1-(9Z)-Octadecenoyl-sn-glycerolHMDB
Glyceryl monooleateHMDB
MonoleinHMDB
MonooleinHMDB
1-Oleoyl monoglycerideHMDB
Glycerol monooleateHMDB
GlycerylmonooleateHMDB
mono-OleoylglycerolHMDB
1-Oleoyl-2-glycerolHMDB
MonoelaidinHMDB
Myverol 18-99HMDB
sn-1-O-(cis-9)OctadecenylglycerolHMDB
Oleic acid monoglycerideHMDB
1-(9Z)-OctadecenoylglycerolHMDB
1-(9Z-Octadecenoyl)-rac-glycerolHMDB
1-Monooleoyl-rac-glycerolHMDB
1-MonooleoylglycerolHMDB
1-Oleoyl-rac-glycerolHMDB
2,3-Dihydroxypropyl oleateHMDB
MG (18:1/0:0/0:0)HMDB
2,3-Dihydroxypropyl oleic acidHMDB
1-(9Z-Octadecenoyl)-glycerolHMDB
1-Glyceryl oleateHMDB
1-mono(cis-9-Octacenoyl)glycerolHMDB
1-OleoylglycerolHMDB
1-OleylglycerolHMDB
2,3-Dihydroxypropyl octadec-9-enoateHMDB
Glycerin 1-monooleateHMDB
Glycerol 1-(9Z-octadecenoate)HMDB
Glycerol 1-monooleateHMDB
Glycerol 1-oleateHMDB
Glycerol alpha-cis-9-octadecenateHMDB
Glycerol alpha-monooleateHMDB
Glycerol α-cis-9-octadecenateHMDB
Glycerol α-monooleateHMDB
MonooleoylglycerolHMDB
alpha-Glyceryl monooloeateHMDB
alpha-MonooleinHMDB
rac-1-MonooleinHMDB
rac-1-MonooleoylglycerolHMDB
Α-glyceryl monooloeateHMDB
Α-monooleinHMDB
MG(18:1(9Z)/0:0/0:0)ChEBI
Chemical FormulaC21H40O4
Average Molecular Weight356.5399
Monoisotopic Molecular Weight356.292659768
IUPAC Name(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
Traditional Name(2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
CAS Registry NumberNot Available
SMILES
[H][C@](O)(CO)COC(=O)CCCCCCC\C=C/CCCCCCCC
InChI Identifier
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m0/s1
InChI KeyRZRNAYUHWVFMIP-QJRAZLAKSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassGlycerolipids
Sub ClassMonoradylglycerols
Direct Parent1-monoacylglycerols
Alternative Parents
Substituents
  • 1-acyl-sn-glycerol
  • Fatty acid ester
  • Fatty acyl
  • 1,2-diol
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected 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
logP6.32ALOGPS
logP5.61ChemAxon
logS-5.4ALOGPS
pKa (Strongest Acidic)13.62ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.76 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity104.43 m³·mol⁻¹ChemAxon
Polarizability44.79 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
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
All TissuesExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0011567
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028280
KNApSAcK IDNot Available
Chemspider ID23010051
KEGG Compound IDNot Available
BioCyc IDCPD-11690
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound12178130
PDB IDNot Available
ChEBI ID75757
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available