RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135337
RefMet name	2E,6E-Farnesal
Alternative name	(2-trans,6-trans)-Farnesal
Systematic name	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal
Synonyms	PubChem Synonyms
Exact mass	220.182715 (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	C15H24O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	28207 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3/b14-9+,15-11+
InChIKey	YHRUHBBTQZKMEX-YFVJMOTDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC/C(=C/CC/C(=C/C=O)/C)/C)C Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Prenol Lipids
Main Class	Isoprenoids
Sub Class	C15 isoprenoids
Distribution of 2E,6E-Farnesal 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 2E,6E-Farnesal
External Links
Pubchem CID	5280598
LIPID MAPS	LMPR0103010012
ChEBI ID	15894
KEGG ID	C03461
HMDB ID	HMDB0060356
MetaCyc ID	2-TRANS6-TRANS-FARNESAL
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 2E,6E-Farnesal

Rxn ID	KEGG Reaction	Enzyme
R09562	Farnesylcysteine + Oxygen + H2O <=> 2-trans,6-trans-Farnesal + L-Cysteine + Hydrogen peroxide	S-(2E,6E)-farnesyl-L-cysteine oxidase

Table of KEGG human pathways containing 2E,6E-Farnesal

Pathway ID	Human Pathway	# of reactions
hsa00900	Terpenoid backbone biosynthesis	1