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Chemical structure of 9-PAHSA 13C4

GC42655

9-PAHSA 13C4

Also known as 9-(1,2,3,4-13C4)hexadecanoyloxyoctadecanoic acid

Branched fatty acid esters of hydroxy fatty acids (FAHFAs) are newly identified endogenous lipids regulated by fasting and high-fat feeding and associated with insulin sensitivity

ChemicalCAS2748638-71-1MW542.9FormulaC30[13C]4H66O4
CAS number
2748638-71-1
Molecular weight
542.9
Formula
C30[13C]4H66O4
Solubility
DMF： 20 mg/ml,DMSO： 15 mg/ml,Ethanol： 20 mg/ml,Ethanol：PBS(pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
MHQWHZLXDBVXML-CGRMNBRFSA-N
Catalogue number
GC42655
Brand
GLPBIO
Computed properties PubChem CID 137699835 · XLogP 14.2 · TPSA 63.6 Ų · H-bond donors 1
XLogP
14.2
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
32
Heavy atoms
38

SMILES CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)OC(CCCCCCCCC)CCCCCCCC(=O)O

Computed descriptors from PubChem (CID 137699835), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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