Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB006918
Identification
Name: DG(17:0cycw7c/10:0(3-OH)/0:0)
Description:DG(17:0cycw7c/10:0(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/10:0(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: C30H56O6
Average Molecular Weight: 512.772
Monoisotopic Molecular Weight: 512.407689523
InChI Key: ZAPCQAHGCOUIHH-OYGGZRDRSA-N
InChI:InChI=1S/C30H56O6/c1-3-5-7-10-15-19-27(31)22-30(34)36-24-28(32)23-35-29(33)20-16-12-9-11-14-18-26-21-25(26)17-13-8-6-4-2/h25-28,31-32H,3-24H2,1-2H3/t25?,26?,27?,28-/m0/s1
CAS number: Not Available
IUPAC Name:(2S)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydecanoate
Traditional IUPAC Name: (2S)-3-{[8-(2-hexylcyclopropyl)octanoyl]oxy}-2-hydroxypropyl 3-hydroxydecanoate
SMILES:[H][C@](O)(COC(=O)CCCCCCCC1CC1CCCCCC)COC(=O)CC(O)CCCCCCC
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 Solubility0.000314 mg/mLALOGPS
logP7.44ALOGPS
logP7.77ChemAxon
logS-6.2ALOGPS
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 Count27ChemAxon
Refractivity144.3 m3·mol-1ChemAxon
Polarizability64.42 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