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Chemical structure of 9(S)-PAHSA

GC40324

9(S)-PAHSA

Also known as (9S)-9-hexadecanoyloxyoctadecanoic acid

9-PAHSA is a newly identified endogenous lipid that belongs to a collection of branched fatty acid esters of hydroxy fatty acids (FAHFAs)

ChemicalCAS2097130-87-3MW538.9FormulaC34H66O4
CAS number
2097130-87-3
Molecular weight
538.9
Formula
C34H66O4
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-YTTGMZPUSA-N
Catalogue number
GC40324
Brand
GLPBIO
Computed properties PubChem CID 124641448 · 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 CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCC)CCCCCCCC(=O)O

Computed descriptors from PubChem (CID 124641448), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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