N-ArachidonylGABA
Basic information
- CAS
128201-89-8- Standard SMILES
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCCC(=O)O- InChIKey
JKUDIEXTAYKJNX-UHFFFAOYSA-N- Molecular formula
- C24H39NO3
- Average molar mass
- 389.6 g/mol
- Monoisotopic mass
- 389.29299411
Names & identifiers
- Preferred name
- N-ArachidonylGABA
- IUPAC
- 4-(icosa-5,8,11,14-tetraenoylamino)butanoic acid
- English name
- 4-[[(5Z,8Z,11Z,14Z)-1-Oxo-5,8,11,14-eicosatetraenyl]amino]butanoic acid
- Molecular formula
- C24H39NO3
- Molecular weight
- 389.57
Names & synonyms
128201-89-8N-ArachidonylGABASCHEMBL18797344DTXSID60659235HMS3268I124-[(Icosa-5,8,11,14-tetraenoyl)amino]butanoic acidQ271639004-(1-oxoeicosa-5,8,11,14-tetraenylamino)butanoic acid4-(ICOSA-5,8,11,14-TETRAENAMIDO)BUTANOIC ACIDNAGABAN-ArachidonoylGABAN-Arachidonoyl-GABA (NA-GABA)
Show more names
N-Arachidonoyl-γ-Aminobutyric AcidN-Arachidonoyl-γ-Aminobutyric AcidNArachidonylGABA,N ArachidonylGABAN-ARACHIDONOYL-GAMMA-AMINOBUTYRIC ACID4-[(1-OXO-5Z,8Z,11Z,14Z-EICOSATETRAENYL)AMINO]-BUTANOIC ACID4-[[(5Z,8Z,11Z,14Z)-1-Oxo-5,8,11,14-eicosatetraenyl]amino]butanoic acid
Database identifiers
- CAS
128201-89-8- PubChem CID
- 44483333
- DTXSID
DTXSID60659235
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 504
Physicochemical properties
- Flash point
- 17 ° · 17°(63°F)
- storage temp.
- -20 °C · Desiccate at -20°C
- solubility
- 20 mg/ml; · DMF: 20 mg/ml; DMSO: 20 mg/ml; Ethanol: 50 mg/ml; PBS (pH 7.2): 2 mg/ml
- form
- Pale yellow viscous oil.
- color
- Colorless to light yellow
- Sensitive
- Air Sensitive
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H319
- Precautionary statements
- 210 · P210-P240-P280a-P303+P361+P353-P305+P351+P338-P501a
- HazardClass
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_class
- 3
- Hazard statements
- H225-H319
- Precautionary statements
- P210-P240-P280a-P303+P361+P353-P305+P351+P338-P501a
Chemistry & industry
Applications
UsesN-Arachidonoyl-GABA is one member of a new class of lipoamino acids related to anandamide identified in bovine brain. N-Arachidonoyl-GABA displays analgesic activity[1].
Additional notes
DefinitionChEBI: N-arachidonoyl-gamma-aminobutyric acid is an N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of gamma-aminobutyric acid with the carboxy group of arachidonic acid. It has a role as a mammalian metabolite. It is a fatty amide and a N-acyl-gamma-aminobutyric acid. It is functionally related to an arachidonic acid. It is a conjugate acid of a N-arachidonoyl-gamma-aminobutyrate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…