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(±) 9-HpODE

CAT: 0013-GTR19191313-01Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191313-01Size:50 µg
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Description
(±) 9-HpODE is a racemic hydroperoxy fatty acid formed from linoleic acid by lipoxygenase. It exhibits antimicrobial properties relevant to plant defense research and is a key oxidation product in studies of LDL modification and inflammation in mammalian systems, both in vitro and in vivo.
CAS Number
5502-91-0
Field of Research
Infectious Disease & Virology
Smiles
C (CCCCCCCC (O) =O) (/C=C/C=C\CCCCC) OO
Molecular Formula
C18H32O4
Molecular Weight
312.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Linoleic acid 9-hydroperoxide, (A+-)-

(10E,12Z)-9-Hydroperoxy-10,12-octadecadienoic acid is a hydroperoxy polyunsaturated fatty acid and an octadecadienoic acid.

CAS Number5502-91-0
PubChem CID6439847
IUPAC Name(10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid
Molecular FormulaC18H32O4
Molecular Weight312.4
XLogP5.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count22
Formal Charge0
Complexity310
SMILES
CCCCC/C=C\C=C\C(CCCCCCCC(=O)O)OO
InChI
InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b8-6-,14-11+
InChIKey
JGUNZIWGNMQSBM-ZJHFMPGASA-N
Chemical Structure
2D Structure
2D structure of Linoleic acid 9-hydroperoxide, (A+-)-
CAS: 5502-91-0
CID: 6439847
Formula: C18H32O4
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass312.23005950
Monoisotopic Mass312.23005950
Topological Polar Surface Area66.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity310
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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