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13 (S) -HpODE

CAT: 0013-GTR19190660-01Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190660-01Size:50 µg
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Description
13 (S) -HpODE is a lipid hydroperoxide metabolite found in both plants and humans. It induces apoptosis in cancer cell lines such as A549, HCT116, and CCF52 via a signaling axis involving PPARγ, MAO-A, ROS generation, and subsequent upregulation of p53 and p21. This compound is a useful research tool for studying lipid-mediated cell death pathways in vitro.
CAS Number
33964-75-9
Field of Research
Cardiovascular Research, Cell Biology, Metabolism Research, Neuroscience, Signal Transduction
Smiles
[C@@H] (/C=C/C=C\CCCCCCCC (O) =O) (CCCCC) OO
Molecular Formula
C18H32O4
Molecular Weight
312.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

13(S)-Hpode

13(S)-HPODE is the (S)-enantiomer of 13-HPODE. It has a role as a human metabolite. It is functionally related to an octadeca-9,11-dienoic acid. It is a conjugate acid of a 13(S)-HPODE(1-). It is an enantiomer of a (13R)-HPODE.

CAS Number33964-75-9
PubChem CID5280720
IUPAC Name(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-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@@H](/C=C/C=C\CCCCCCCC(=O)O)OO
InChI
InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m0/s1
InChIKey
JDSRHVWSAMTSSN-IRQZEAMPSA-N
Chemical Structure
2D Structure
2D structure of 13(S)-Hpode
CAS: 33964-75-9
CID: 5280720
Formula: C18H32O4
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
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 Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes