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Chemical structure of 9-OxoODE

GC42652

9-OxoODE

Also known as (10E,12Z)-9-oxooctadeca-10,12-dienoic acid

9-OxoODE results from oxidation of the allylic hydroxyl of either 9(S)- or 9(R)-HODE

ChemicalCAS54232-59-6MW294.4FormulaC18H30O3
CAS number
54232-59-6
Molecular weight
294.4
Formula
C18H30O3
Solubility
DMF： >50 mg/ml (per Rao Maddipati),DMSO： >50 mg/ml (per Rao Maddipati),Ethanol： >50 mg/ml (per Rao Maddipati),PBS pH 7·2： >1 mg/ml (from 13(S)–HODE)
InChIKey
LUZSWWYKKLTDHU-ZJHFMPGASA-N
Catalogue number
GC42652
Brand
GLPBIO
Computed properties PubChem CID 9839084 · XLogP 5.2 · TPSA 54.4 Ų · H-bond donors 1
XLogP
5.2
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
14
Heavy atoms
21

SMILES CCCCC/C=C\C=C\C(=O)CCCCCCCC(=O)O

Computed descriptors from PubChem (CID 9839084), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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