Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB006920
Identification
Name: DG(17:0cycw7c/12:0(3-OH)/0:0)
Description:DG(17:0cycw7c/12:0(3-OH)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(17:0cycw7c/12:0(3-OH)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C32H60O6
Average Molecular Weight: 540.826
Monoisotopic Molecular Weight: 540.438989652
InChI Key: GVYJEDYVEZLPBE-IYCLCUOYSA-N
InChI:InChI=1S/C32H60O6/c1-3-5-7-9-10-13-17-21-29(33)24-32(36)38-26-30(34)25-37-31(35)22-18-14-11-12-16-20-28-23-27(28)19-15-8-6-4-2/h27-30,33-34H,3-26H2,1-2H3/t27?,28?,29?,30-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydodecanoate
Traditional IUPAC Name: (2S)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydodecanoate
SMILES:[H][C@](O)(COC(=O)CCCCCCCC1CC1CCCCCC)COC(=O)CC(O)CCCCCCCCC
Chemical Taxonomy
Taxonomy DescriptionNot Available
Kingdom Not Available
Super ClassNot Available
Class Not Available
Sub ClassNot Available
Direct Parent Not Available
Alternative Parents Not Available
Substituents Not Available
Molecular Framework Not Available
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility0.000137 mg/mLALOGPS
logP8.13ALOGPS
logP8.66ChemAxon
logS-6.6ALOGPS
pKa (Strongest Acidic)13.61ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area93.06 Å2ChemAxon
Rotatable Bond Count29ChemAxon
Refractivity153.5 m3·mol-1ChemAxon
Polarizability68.69 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Membrane
Reactions:
Pathways: Not Available
Spectra
Spectra:
References
References:
  • Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI IDNot Available
HMDB IDNot Available
Pubchem Compound IDNot Available
Kegg IDNot Available
ChemSpider IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available