Metabolomics Structure Database

MW REGNO: 1322
Common Name:2-hydroxy palmitic acid
Systematic Name:2-hydroxy-hexadecanoic acid
RefMet Name:2-Hydroxypalmitic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
272.2351 (neutral)    Calculate m/z:
LIPID MAPS Category:Fatty Acyls [FA]
LIPID MAPS mainclass:Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:Hydroxy fatty acids [FA0105]
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:92836
CHEBI ID:65101
Chemspider ID:83805
MetaCyc ID:CPD-14716
Plant Metabolite Hub(Pmhub):MS000088810

Calculated physicochemical properties (?):

Heavy Atoms: 19  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 14  
van der Waals Molecular volume: 309.09 Å3 molecule-1  
Toplogical Polar Sufrace Area: 57.53 Å2 molecule-1  
Hydrogen Bond Donors: 2  
Hydrogen Bond Acceptors: 3  
logP: 4.81  
Molar Refractivity: 79.85  
Fraction sp3 Carbons: 0.94  
sp3 Carbons: 15  


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y