Structure Database (LMSD)

Common Name
N-stearoyl GABA
Systematic Name
N-octadecanoyl-γ-aminobutyric acid
Synonyms
LM ID
LMFA08020106
Formula
C22H43NO3
Exact Mass
Calculate m/z
369.324294
Sum Composition
NA 22:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
N-acyl amines [FA0802]

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)
CCGXSETVBNBVKJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H43NO3/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/h2-20H2,1H3,(H,23,24)(H,25,26)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCCCC)(=O)NCCCC(=O)O

Other Databases

HMDB ID
HMDB0062341
CHEBI ID
165565
PubChem CID
162685

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 20
Van der Waals Molecular Volume 421.25
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.51
Molar Refractivity 109.92

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Updated at
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