Structure Database (LMSD)

Common Name
N-oleoyl GABA
Systematic Name
N-(9Z-octadecenoyl)-γ-aminobutyric acid
Synonyms
LM ID
LMFA08020104
Formula
C22H41NO3
Exact Mass
Calculate m/z
367.308644
Sum Composition
NA 22:2;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Rattus norvegicus (#10116)
Mammalia (#40674)
Identification of endogenous acyl amino acids based on a targeted lipidomics approach.,
J Lipid Res, 2010
Pubmed ID: 19584404

String Representations

InChiKey (Click to copy)
NFYDTZXYPVTQHJ-KTKRTIGZSA-N
InChi (Click to copy)
InChI=1S/C22H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22(25)26/h9-10H,2-8,11-20H2,1H3,(H,23,24)(H,25,26)/b10-9-
SMILES (Click to copy)
C(CCCCCCC/C=C\CCCCCCCC)(=O)NCCCC(=O)O

Other Databases

HMDB ID
HMDB0062335
CHEBI ID
165543
PubChem CID
16759340

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
Van der Waals Molecular Volume 418.61
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.29
Molar Refractivity 109.82

Admin

Created at
-
Updated at
-