RefMet Compound Details

MW structure	37524 (View MW Metabolite Database details)
RefMet name	5-Methylthioribose 1-phosphate
Systematic name	[(3R,4S)-3,4-dihydroxy-5-(methylsulfanylmethyl)oxolan-2-yl]dihydrogenphosphate
SMILES	CSCC1[C@H]([C@H](C(O1)OP(=O)(O)O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	260.011965 (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	C6H13O7PS	View other entries in RefMet with this formula
InChI	InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3?,4-,5-,6?/m1/s1
InChIKey	JTFITTQBRJDSTL-WATOWXBHSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Carbohydrates
Main Class	Monosaccharides
Sub Class	Pentoses
Pubchem CID	53477720
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 5-Methylthioribose 1-phosphate

Rxn ID	KEGG Reaction	Enzyme
R04420	S-Methyl-5-thio-D-ribose 1-phosphate <=> S-Methyl-5-thio-D-ribulose 1-phosphate	5-methylthio-5-deoxy-D-ribose-1-phosphate ketol-isomerase
R01402	5'-Methylthioadenosine + Orthophosphate <=> Adenine + S-Methyl-5-thio-D-ribose 1-phosphate	S-methyl-5'-thioadenosine:phosphate S-methyl-5-thio-alpha-D-ribosyl-transferase

Table of KEGG human pathways containing 5-Methylthioribose 1-phosphate

Pathway ID	Human Pathway	# of reactions
hsa00270	Cysteine and methionine metabolism	2