RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0156044
RefMet name	5,10-Methylenetetrahydromethanopterin
Systematic name	1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol
Synonyms	PubChem Synonyms
Exact mass	788.262966 (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	C31H45N6O16P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50548 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26( 44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46 ,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1
InChIKey	GBMIGEWJAPFSQI-CAFBYHECSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C[C@H]1[C@@H]2[C@@H](C)N(CN2c2c(N1)nc(N)[nH]c2=O)c1ccc(cc1)C[C@@H]([C@@H]([C@@H](CO[C@@H]1[C@@H]([C@@H]([C@@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O1)O)O)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic oxygen compounds
Main Class	Organooxygen compounds
Sub Class	Organooxygen compounds
Distribution of 5,10-Methylenetetrahydromethanopterin 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 5,10-Methylenetetrahydromethanopterin
External Links
Pubchem CID	135398704
ChEBI ID	16568
KEGG ID	C04377
HMDB ID	HMDB0060401
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 5,10-Methylenetetrahydromethanopterin

Rxn ID	KEGG Reaction	Enzyme
R09099	L-Serine + 5,6,7,8-Tetrahydromethanopterin <=> 5,10-Methylenetetrahydromethanopterin + Glycine + H2O	5,10-methylenetetrahydromethanopterin:glycine hydroxymethyltransferase

Table of KEGG human pathways containing 5,10-Methylenetetrahydromethanopterin

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	1