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16 (S) -HETE

CAT: 0804-HY-116444-01Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-116444-01Size:50 µg
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Description
16 (S) -HETE is an endogenous inhibitor of neutrophil activity and can be used in the study of acute ischemic brain injury[1].
CAS Number
183509-23-1
UNSPSC
12352211
Hazard Statement
H225-H319
Target
Cytochrome P450
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/16-s-hete.html
Solubility
10 mM in DMSO
Smiles
OC(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@@H](O)CCCC)=O
Molecular Formula
C20H32O3
Molecular Weight
320.47
Precautions
P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P501
References & Citations
[1]Reddy Y K, et al. Practical, asymmetric synthesis of 16-hydroxyeicosa-5 (Z), 8 (Z), 11 (Z), 14 (Z) -tetraenoic acid (16-HETE), an endogenous inhibitor of neutrophil activity[J]. Bioorganic & medicinal chemistry letters, 2003, 13 (21) : 3719-3720.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

16(S)-Hete

16(S)-HETE is a 16-HETE in which the chiral centre at position 16 has S-configuration. It has a role as an anti-inflammatory agent and a human xenobiotic metabolite. It is a conjugate acid of a 16(S)-HETE(1-). It is an enantiomer of a 16(R)-HETE.

CAS Number183509-23-1
PubChem CID25320821
IUPAC Name(5Z,8Z,11Z,14Z,16S)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP4.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
CCCC[C@@H](/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI
InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m0/s1
InChIKey
JEKNPVYFNMZRJG-IFOZKBMWSA-N
Chemical Structure
2D Structure
2D structure of 16(S)-Hete
CAS: 183509-23-1
CID: 25320821
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass320.23514488
Monoisotopic Mass320.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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