Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	48869
Common Name:	Glycerol 1-(5-hydroxydodecanoate)
Systematic Name:	2,3-dihydroxypropyl 5-hydroxydodecanoate
RefMet Name:	Glycerol-1-(5-hydroxydodecanoate)
Synonyms:	[PubChem Synonyms]
Exact Mass:	290.2093 (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:	C15H30O5
InChIKey:	KCEQGTJBAICOKH-UHFFFAOYSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
SMILES:	CCCCCCCC(CCCC(=O)OCC(CO)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	175553
HMDB ID:	HMDB0040168
Chemspider ID:	152949

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