Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	136184
Common Name:	2,3-Dihydroxypropyl Tetradecanoate
Systematic Name:	2,3-dihydroxypropyl tetradecanoate
Synonyms:	[PubChem Synonyms]
Exact Mass:	302.2457 (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:	C17H34O4
InChIKey:	DCBSHORRWZKAKO-UHFFFAOYSA-N
ClassyFire superclass:	Lipids and lipid-like molecules [C0000012]
ClassyFire class:	Glycerolipids [C0000175]
ClassyFire subclass:	Monoradylglycerols [C0003808]
ClassyFire direct parent:	Monoacylglycerols [C0001133]
SMILES:	CCCCCCCCCCCCCC(=O)OCC(CO)O
Studies:	Available studies(via PubChem CID)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	79050
HMDB ID:	HMDB0304951
CHEMBL ID:	CHEMBL463092
Plant Metabolite Hub(Pmhub):	MS000224668

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