Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1435
Common Name:	(R)-3-Hydroxydodecanoic acid
Systematic Name:	3R-hydroxy-dodecanoic acid
Synonyms:	Dodecanoic acid, 3-hydroxy-, (R)-; Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI); (3R)-3-Hydroxydodecanoic acid; D-(-)-3-Hydroxydodecanoic acid; D-3-Hydroxydodecanoic acid [PubChem Synonyms]
Exact Mass:	216.1725 (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:	C12H24O3
InChIKey:	MUCMKTPAZLSKTL-LLVKDONJSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Hydroxy fatty acids [FA0105]
SMILES:	CCCCCCCCC[C@H](CC(=O)O)O
Studies:	Available studies(via PubChem CID)

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External database links:

PubChem CID:	5312804
LIPID MAPS ID:	LMFA01050251
CHEBI ID:	43197
HMDB ID:	HMDB0010728
Chemspider ID:	4472229

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