RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136317
RefMet name	O-Phospho-4-hydroxy-threonine
Systematic name	(2S,3S)-2-amino-3-hydroxy-4-(phosphonooxy)butanoic acid
Synonyms	PubChem Synonyms
Exact mass	215.019488 (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	C4H10NO7P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	39042 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1
InChIKey	FKHAKIJOKDGEII-GBXIJSLDSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@H]([C@@H](C(=O)O)N)O)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 O-Phospho-4-hydroxy-threonine 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 O-Phospho-4-hydroxy-threonine
External Links
Pubchem CID	440901
ChEBI ID	18336
KEGG ID	C06055
HMDB ID	HMDB0006802
Chemspider ID	389731
MetaCyc ID	4-PHOSPHONOOXY-THREONINE
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 O-Phospho-4-hydroxy-threonine

Rxn ID	KEGG Reaction	Enzyme
R05085	O-Phospho-4-hydroxy-L-threonine + 2-Oxoglutarate <=> 2-Oxo-3-hydroxy-4-phosphobutanoate + L-Glutamate	O-Phospho-4-hydroxy-L-threonine:2-oxoglutarate aminotransferase

Table of KEGG human pathways containing O-Phospho-4-hydroxy-threonine

Pathway ID	Human Pathway	# of reactions
hsa00750	Vitamin B6 metabolism	1