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Palmitodiolein

CAT: 0804-HY-112132-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112132-01Size:5 mg
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Description
Palmitodiolein (Triglyceride POO) is a triacylglycerol which is present in vegetable oils.
CAS Number
2190-30-9
Product Name Alternative
Triglyceride POO; Glycerol dioleate palmitate; 1,2-Dioleoyl-3-palmitoylglycerol
UNSPSC
12352211
Hazard Statement
H225, H319, H336
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/1,2-Dioleoyl-3-palmitoyl-rac-glycerol.html
Purity
99.79
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCCCCCCCCCCCCCCC(OCC(OC(CCCCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCCC)=O)=O
Molecular Formula
C55H102O6
Molecular Weight
859.39
Precautions
H225, H319, H336
References & Citations
[1]Walters, C.L., et al., The possible role of lipid pseudonitrosites in nitrosamine formation in fried bacon. Z Lebensm Unters Forch 168, 177–180 (1979) .
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,2-Dioleoyl-3-palmitoylglycerol

1,2-dioleoyl-3-palmitoylglycerol is a triglyceride in which the acyl groups at positions 1 and 2 are specified as oleoyl while that at position 3 is specified as palmitoyl. It is functionally related to a hexadecanoic acid and an oleic acid.

CAS Number2190-30-9
PubChem CID25240174
IUPAC Name[3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Molecular FormulaC55H102O6
Molecular Weight859.4
XLogP22.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Heavy Atom Count61
Formal Charge0
Complexity989
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-
InChIKey
JFISYPWOVQNHLS-LBXGSASVSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dioleoyl-3-palmitoylglycerol
CAS: 2190-30-9
CID: 25240174
Formula: C55H102O6
MW: 859.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight859.4
XLogP322.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count52
Exact Mass858.76764097
Monoisotopic Mass858.76764097
Topological Polar Surface Area78.9 Ų
Heavy Atom Count61
Formal Charge0
Complexity989
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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