Structure Database (LMSD)

Common Name
Palmitoyl Serinol
Systematic Name
N-(1,3-dihydroxypropan-2-yl)hexadecanamide
Synonyms
LM ID
LMFA08020197
Formula
C19H39NO3
Exact Mass
Calculate m/z
329.292994
Sum Composition
NA 19:0;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]
Hydroxy fatty acids [FA0105]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Escherichia coli (#562)
Gammaproteobacteria (#1236)
Commensal bacteria make GPCR ligands that mimic human signalling molecules.,
Nature, 2017
Pubmed ID: 28854168
human gut metagenome (#408170)
Commensal bacteria make GPCR ligands that mimic human signalling molecules.,
Nature, 2017
Pubmed ID: 28854168

String Representations

InChiKey (Click to copy)
MZUNFYMZKTWADX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)20-18(16-21)17-22/h18,21-22H,2-17H2,1H3,(H,20,23)
SMILES (Click to copy)
CCCCCCCCCCCCCCCC(NC(CO)CO)=O

Other Databases

HMDB ID
HMDB0013654
CHEBI ID
178697
PubChem CID
9862307
Cayman ID
62175

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 371.99
Topological Polar Surface Area 69.56
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.79
Molar Refractivity 97.91

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Created at
-
Updated at
19th Sep 2023