RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0048676
RefMet name	LPE 16:1(9Z)/0:0
Synonyms	PubChem Synonyms
Exact mass	451.2699 (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	C21H42NO7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	16382 (Download molfile/View MW Metabolite Database details)
InChI
InChIKey	DSOWUEHXZJUNID-WHXUGTBJSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	CCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Glycerophospholipids
Main Class	Glycerophosphoethanolamines
Sub Class	LPE (Lysophosphatidylethanolamines)
Distribution of LPE 16:1(9Z)/0:0 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 LPE 16:1(9Z)/0:0
External Links
Pubchem CID	52925129
LIPID MAPS	LMGP02050010
ChEBI ID	145277
KEGG ID	C04438
HMDB ID	HMDB0011504
Chemspider ID	24769383
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 LPE 16:1(9Z)/0:0

Rxn ID	KEGG Reaction	Enzyme
R02053	Phosphatidylethanolamine + H2O <=> 1-Acyl-sn-glycero-3-phosphoethanolamine + Fatty acid	phosphatidylethanolamine 2-acylhydrolase
R03416	1-Acyl-sn-glycero-3-phosphoethanolamine + H2O <=> Fatty acid + sn-Glycero-3-phosphoethanolamine	1-Acyl-sn-glycero-3-phosphoethanolamine aldehydohydrolase
R04480	Phosphatidylethanolamine + CoA <=> 1-Acyl-sn-glycero-3-phosphoethanolamine + Acyl-CoA	Acyl-CoA:1-acyl-sn-glycero-3-phosphoethanolamine O-acyltransferase

Table of KEGG human pathways containing LPE 16:1(9Z)/0:0

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	3