Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2232
Common Name:	(R)-3-Hydroxy-Octadecanoic acid
Systematic Name:	3R-hydroxy-octadecanoic acid
Synonyms:	Octadecanoic acid, 3-hydroxy-, (R)-; Octadecanoic acid, 3-hydroxy-, (-)- [PubChem Synonyms]
Exact Mass:	300.2664 (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:	C18H36O3
InChIKey:	POMQYTSPMKEQNB-QGZVFWFLSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Octadecanoids [FA02]
LIPID MAPS subclass:	Other Octadecanoids [FA0200]
SMILES:	CCCCCCCCCCCCCCC[C@H](CC(=O)O)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5312838
LIPID MAPS ID:	LMFA02000196
CHEBI ID:	145205
HMDB ID:	HMDB0010737
Chemspider ID:	4472263
Plant Metabolite Hub(Pmhub):	MS000119562

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