Structure Database (LMSD)

Common Name
N-palmitoyl GABA
Systematic Name
N-hexadecanoyl-γ-aminobutyric acid
Synonyms
LM ID
LMFA08020103
Formula
C20H39NO3
Exact Mass
Calculate m/z
341.292994
Sum Composition
NA 20:1;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]

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)
YLKMEQOADSECIK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(22)21-18-15-17-20(23)24/h2-18H2,1H3,(H,21,22)(H,23,24)
SMILES (Click to copy)
C(CCCCCCCCCCCCCCC)(=O)NCCCC(=O)O

Other Databases

HMDB ID
HMDB0062338
CHEBI ID
165550
PubChem CID
197197

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 386.65
Topological Polar Surface Area 66.40
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.73
Molar Refractivity 100.68

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Updated at
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