RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0118441
RefMet name	Farnesylcysteine
Systematic name	(2R)-2-amino-3-{[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]sulfanyl}propanoic acid
Synonyms	PubChem Synonyms
Exact mass	325.207551 (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	C18H31NO2S	View other entries in RefMet with this formula
Molecular descriptors
Molfile	41430 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C18H31NO2S/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-22-13-17(19)18(20)21/h7,9,11,17H,5-6,8,10,12-13,19H2,1-4H3,(H,20,21)/b15- 9+,16-11+/t17-/m0/s1
InChIKey	SYSLNQMKLROGCL-BCYUYYMPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CC(=CCC/C(=C/CC/C(=C/CSC[C@@H](C(=O)O)N)/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 Farnesylcysteine 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 Farnesylcysteine
External Links
Pubchem CID	6438372
ChEBI ID	62197
KEGG ID	C19691
HMDB ID	HMDB0011627
Chemspider ID	4942854
MetaCyc ID	CPD-12581
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 Farnesylcysteine

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 Farnesylcysteine

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