Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	588
Common Name:	Bishomo-gamma-linolenic acid
Systematic Name:	8Z,11Z,14Z-eicosatrienoic acid
RefMet Name:	Dihomo-gamma-linolenic acid
Synonyms:	dihomo-gamma-linolenic acid; 8, 11, 14-eicosatrienoic acid; C20:3n-6,9,12 [PubChem Synonyms]
Exact Mass:	306.2559 (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:	C20H34O2
InChIKey:	HOBAELRKJCKHQD-QNEBEIHSSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Unsaturated fatty acids [FA0103]
NP-MRD NMR spectra:	View NMR spectra
SMILES:	CCCCC/C=CC/C=CC/C=CCCCCCCC(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5280581
LIPID MAPS ID:	LMFA01030158
CHEBI ID:	53486
HMDB ID:	HMDB0002925
KEGG ID:	C03242
Chemspider ID:	4444199
METLIN ID:	259
NP-MRD ID(NMR):	NP0001142
Plant Metabolite Hub(Pmhub):	MS000000305

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