RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135926
RefMet name	Phosphoserine
Systematic name	(2S)-2-amino-3-(phosphonooxy)propanoic acid
Synonyms	PubChem Synonyms
Exact mass	185.008927 (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	C3H8NO6P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37174 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey	BZQFBWGGLXLEPQ-REOHCLBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H](C(=O)O)N)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Distribution of Phosphoserine 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 Phosphoserine
External Links
Pubchem CID	68841
ChEBI ID	15811
KEGG ID	C01005
HMDB ID	HMDB0000272
Chemspider ID	62074
MetaCyc ID	3-P-SERINE
Spectral data for Phosphoserine standards
BMRB ID(NMR)	View NMR spectra
NP-MRD ID(NMR)	View NMR spectra
MassBank(EU)	View MS spectra
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 Phosphoserine

Rxn ID	KEGG Reaction	Enzyme
R00582	O-Phospho-L-serine + H2O <=> L-Serine + Orthophosphate	O-phospho-L-serine phosphohydrolase
R04173	O-Phospho-L-serine + 2-Oxoglutarate <=> 3-Phosphonooxypyruvate + L-Glutamate	3-Phosphoserine:2-oxoglutarate aminotransferase
R12342	ADP + L-Serine <=> AMP + O-Phospho-L-serine	ADP:L-serine 3-phosphotransferase
R12344	ATP + L-Serine <=> ADP + O-Phospho-L-serine	ATP:L-serine 3-phosphotransferase

Table of KEGG human pathways containing Phosphoserine

Pathway ID	Human Pathway	# of reactions
hsa00260	Glycine, serine and threonine metabolism	2
hsa01100	Metabolic pathways	2
hsa01200	Carbon metabolism	2
hsa01230	Biosynthesis of amino acids	2
hsa00270	Cysteine and methionine metabolism	1