Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1468
Common Name:	(R)-3-Hydroxy-tetradecanoic acid
Systematic Name:	3R-hydroxy-tetradecanoic acid
Synonyms:	Tetradecanoic acid, 3-hydroxy-, (R)-; Tetradecanoic acid, 3-hydroxy-, D-(-)-; (3R)-3-Hydroxytetradecanoic acid; (R)-(-)-3-Hydroxytetradecanoic acid; (R)-3-Hydroxymyristic acid; (R)-3-Hydroxytetradecanoic acid; D-(-)-beta-Hydroxymyristic acid; D-3-Hydroxyte [PubChem Synonyms]
Exact Mass:	244.2038 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C14H28O3
InChIKey:	ATRNZOYKSNPPBF-CYBMUJFWSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Hydroxy fatty acids [FA0105]
SMILES:	CCCCCCCCCCC[C@H](CC(=O)O)O
Studies:	Available studies(via PubChem CID)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5288266
LIPID MAPS ID:	LMFA01050322
CHEBI ID:	42539
HMDB ID:	HMDB0010731
Chemspider ID:	4450466
Plant Metabolite Hub(Pmhub):	MS000004399

Calculated physicochemical properties (?):

Heavy Atoms:	17
Rings:	0
Aromatic Rings:	0
Rotatable Bonds:	12
van der Waals Molecular volume:	274.49 Å3 molecule-1
Toplogical Polar Sufrace Area:	57.53 Å2 molecule-1
Hydrogen Bond Donors:	2
Hydrogen Bond Acceptors:	3
logP:	4.03
Molar Refractivity:	70.62
Fraction sp3 Carbons:	0.93
sp3 Carbons:	13

Human Pathway links:

HMDB and KEGG pathways containing this metabolite

References

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