Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	677
Common Name:	Goshuyic acid
Systematic Name:	5Z,8Z-tetradecadienoic acid
RefMet Name:	5,8-Tetradecadienoic acid
Synonyms:	C14:2n-6,9 [PubChem Synonyms]
Exact Mass:	224.1776 (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:	C14H24O2
InChIKey:	HXHZGHRLVRFQDR-HZJYTTRNSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Unsaturated fatty acids [FA0103]
SMILES:	CCCCC/C=C\C/C=C\CCCC(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	5312409
LIPID MAPS ID:	LMFA01030257
CHEBI ID:	70719
HMDB ID:	HMDB0000560
Chemspider ID:	4471834
METLIN ID:	5544
Plant Metabolite Hub(Pmhub):	MS000128497

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