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Tetranor-12 (S) -HETE

CAT: 0013-GTR19222735-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222735-01Size:25 µg
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Description
Tetranor-12 (S) -HETE is a peroxisomal β-oxidation metabolite of 12 (S) -HETE, investigated as a research tool for studying eicosanoid metabolism. Its biological role is not fully defined, though it may modulate inflammation, and its impaired formation is relevant in peroxisomal disorders like Zellweger's Syndrome.
CAS Number
121842-79-3
Field of Research
Metabolism Research
Smiles
CCCCC\C=C/C[C@H] (O) \C=C\C=C/CCC (O) =O
Molecular Formula
C16H26O3
Molecular Weight
266.381
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Npc323527

Tetranor 12-HETE is a hydroxy fatty acid.

CAS Number121842-79-3
PubChem CID15730832
IUPAC Name(4Z,6E,8S,10Z)-8-hydroxyhexadeca-4,6,10-trienoic acid
Molecular FormulaC16H26O3
Molecular Weight266.38
XLogP3.9
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count19
Formal Charge0
Complexity303
SMILES
CCCCC/C=C\C[C@@H](/C=C/C=C\CCC(=O)O)O
InChI
InChI=1S/C16H26O3/c1-2-3-4-5-6-9-12-15(17)13-10-7-8-11-14-16(18)19/h6-10,13,15,17H,2-5,11-12,14H2,1H3,(H,18,19)/b8-7-,9-6-,13-10+/t15-/m0/s1
InChIKey
KBOVKDIBOBQLRS-ONCCEEIJSA-N
Chemical Structure
2D Structure
2D structure of Npc323527
CAS: 121842-79-3
CID: 15730832
Formula: C16H26O3
MW: 266.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.38
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass266.18819469
Monoisotopic Mass266.18819469
Topological Polar Surface Area57.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity303
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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