RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0157553
RefMet name	sn-Glycero-3-phosphoethanolamine
Systematic name	sn-Glycero-3-phosphoethanolamine
Synonyms	PubChem Synonyms
Exact mass	215.055877 (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	C5H14NO6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37079 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H14NO6P/c7-2-1-6(13(10,11)12)3-5(9)4-8/h5,7-9H,1-4H2,(H2,10,11,12)
InChIKey	JZNWSCPGTDBMEW-RXMQYKEDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(COP(=O)(O)OC[C@@H](CO)O)N Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organic phosphoric acids
Sub Class	Organic phosphoric acids
Distribution of sn-Glycero-3-phosphoethanolamine 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 sn-Glycero-3-phosphoethanolamine
External Links
Pubchem CID	444183
ChEBI ID	16929
KEGG ID	C01233
HMDB ID	HMDB0000114
Chemspider ID	17215919
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 sn-Glycero-3-phosphoethanolamine

Rxn ID	KEGG Reaction	Enzyme
R01470	sn-Glycero-3-phosphoethanolamine + H2O <=> Ethanolamine + sn-Glycerol 3-phosphate	sn-Glycero-3-phosphoethanolamine glycerophosphohydrolase
R03415	1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine + H2O <=> Aldehyde + sn-Glycero-3-phosphoethanolamine	1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine aldehydohydrolase
R03416	1-Acyl-sn-glycero-3-phosphoethanolamine + H2O <=> Fatty acid + sn-Glycero-3-phosphoethanolamine	1-Acyl-sn-glycero-3-phosphoethanolamine aldehydohydrolase
R03417	2-Acyl-sn-glycero-3-phosphoethanolamine + H2O <=> Fatty acid + sn-Glycero-3-phosphoethanolamine	L-2-Lysophosphatidylethanolamine aldehydohydrolase

Table of KEGG human pathways containing sn-Glycero-3-phosphoethanolamine

Pathway ID	Human Pathway	# of reactions
hsa00564	Glycerophospholipid metabolism	3
hsa00565	Ether lipid metabolism	1