RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153201
RefMet name	Stearidonic acid
Alternative name	FA 18:4(6Z,9Z,12Z,15Z)
Systematic name	6Z,9Z,12Z,15Z-octadecatetraenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 18:4	View other entries in RefMet with this sum composition
Exact mass	276.208930 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C18H28O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	774 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7- 6-,10-9-,13-12-
InChIKey	JIWBIWFOSCKQMA-LTKCOYKYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Unsaturated FA
Distribution of Stearidonic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Stearidonic acid
External Links
Pubchem CID	5312508
LIPID MAPS	LMFA01030357
ChEBI ID	32389
KEGG ID	C16300
HMDB ID	HMDB0006547
Chemspider ID	4471933
Spectral data for Stearidonic acid standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Stearidonic acid

Rxn ID	KEGG Reaction	Enzyme
R07861	(9Z,12Z,15Z)-Octadecatrienoic acid + Reduced acceptor + Oxygen <=> Stearidonic acid + Acceptor + 2 H2O	(9Z,12Z,15Z)-Octadecatrienoic acid + Reduced acceptor + Oxygen <=> Stearidonic acid + Acceptor + 2 H2O

Table of KEGG human pathways containing Stearidonic acid

Pathway ID	Human Pathway	# of reactions
hsa00592	alpha-Linolenic acid metabolism	1