RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0139497
RefMet name	Pentadecyl palmitoleate
Systematic name	Pentadecyl 9Z-hexadecenoate
Synonyms	PubChem Synonyms
Sum Composition	FA 31:1	View other entries in RefMet with this sum composition
Exact mass	464.459330 (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	C31H60O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	3664 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C31H60O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31(32)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15H,3-12,14,16-30 H2,1-2H3/b15-13-
InChIKey	SMPDUNNZRJZPTF-SQFISAMPSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCC Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty esters
Sub Class	Wax monoesters
Distribution of Pentadecyl palmitoleate 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 Pentadecyl palmitoleate
External Links
Pubchem CID	52922008
LIPID MAPS	LMFA07010019
ChEBI ID	165720
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)