Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1438
Common Name:	3R-hydroxy-5Z-dodecenoic acid
Systematic Name:	3R-hydroxy-5Z-dodecenoic acid
RefMet Name:	3R-Hydroxy-5Z-dodecenoic acid
Synonyms:	5-Dodecenoic acid, 3-hydroxy-, [R-(Z)]- [PubChem Synonyms]
Exact Mass:	214.1569 (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:	C12H22O3
InChIKey:	GZUALOWLHSCENG-SKVAFPRGSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Hydroxy fatty acids [FA0105]
SMILES:	CCCCCC/C=C\C[C@H](CC(=O)O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5312807
LIPID MAPS ID:	LMFA01050254

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