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Chemical structure of 9-Nitrooleate

GC42649

9-Nitrooleate

Also known as (E)-9-nitrooctadec-9-enoic acid

Nitrated unsaturated fatty acids, such as 10- and 12-nitrolinoleate, cholesteryl nitrolinoleate, and nitrohydroxylinoleate, represent a new class of endogenous lipid-derived signalling molecules

ChemicalCAS875685-44-2MW327.5FormulaC18H33NO4
CAS number
875685-44-2
Molecular weight
327.5
Formula
C18H33NO4
Solubility
Ethanol: 1 mg/ml
InChIKey
CQOAKBVRRVHWKV-SAPNQHFASA-N
Catalogue number
GC42649
Brand
GLPBIO
Computed properties PubChem CID 11645581 · XLogP 6.7 · TPSA 83.1 Ų · H-bond donors 1
XLogP
6.7
TPSA
83.1 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
23

SMILES CCCCCCCC/C=C(\CCCCCCCC(=O)O)/[N+](=O)[O-]

Computed descriptors from PubChem (CID 11645581), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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