15 (S) -HETE Ethanolamide

CAT: 0804-HY-130357Size: 1 EachDry Ice: NoHazardous: No

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Description

15 (S) -HETE Ethanolamide is a cannabinoid analog the CB1 receptor (Ki of 600 nM) [1].

CAS Number

161744-53-2

UNSPSC

12352211

Hazard Statement

H225-H319

Target

Cannabinoid Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein; Neuronal Signaling

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/15-s-hete-ethanolamide.html

Solubility

10 mM in DMSO

Smiles

CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(NCCO)=O

Molecular Formula

C22H37NO3

Molecular Weight

363.53

Precautions

P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P501

References & Citations

[1]Mario van der Stelt, et al. Oxygenated metabolites of anandamide and 2-arachidonoylglycerol: conformational analysis and interaction with cannabinoid receptors, membrane transporter, and fatty acid amide hydrolase. J Med Chem. 2002 Aug 15;45 (17) :3709-20.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

15(S)-HETE Ethanolamide

CAS Number	161744-53-2
PubChem CID	91886095
IUPAC Name	(5Z,8Z,11Z,13E,15S)-15-hydroxy-N-(2-hydroxyethyl)icosa-5,8,11,13-tetraenamide
Molecular Formula	C22H37NO3
Molecular Weight	363.5
XLogP	4.1
Topological Polar Surface Area	69.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Heavy Atom Count	26
Formal Charge	0
Complexity	439

SMILES

CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO)O

InChI

InChI=1S/C22H37NO3/c1-2-3-13-16-21(25)17-14-11-9-7-5-4-6-8-10-12-15-18-22(26)23-19-20-24/h4-5,8-11,14,17,21,24-25H,2-3,6-7,12-13,15-16,18-20H2,1H3,(H,23,26)/b5-4-,10-8-,11-9-,17-14+/t21-/m0/s1

InChIKey

XZQKRCUYLKDPEK-BPVVGZHASA-N

Chemical Structure

2D Structure

CAS: 161744-53-2

CID: 91886095

Formula: C22H37NO3

MW: 363.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	363.5
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	16
Exact Mass	363.27734404
Monoisotopic Mass	363.27734404
Topological Polar Surface Area	69.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	439
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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sc-220838A	20-HETE Ethanolamide
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563528	Linoleyl ethanolamide
T61195-01	Mead ethanolamide
T84594-01	Heptadecanoyl ethanolamide
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T84458-01	Tricosanoyl Ethanolamide

15 (S) -HETE Ethanolamide

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