N-arachidonoylglycine   Click here for help

GtoPdb Ligand ID: 3635

Abbreviated name: NAG
Synonyms: NAGly
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 66.4
Molecular weight 361.26
XLogP 7.52
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCC(=O)O
Isomeric SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O
InChI InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-20H2,1H3,(H,23,24)(H,25,26)/b7-6-,10-9-,13-12-,16-15-
InChI Key YLEARPUNMCCKMP-DOFZRALJSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
Synonyms Click here for help
NAGly
Database Links Click here for help
CAS Registry No. 179113-91-8 (source: Scifinder)
ChEBI CHEBI:58961
ChEMBL Ligand CHEMBL161343
GtoPdb PubChem SID 178100542
PubChem CID 5283389
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Tocris
N-Arachidonylglycine
Cat. No. 1445