5-methyltetrahydrofolate

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 116
Total Number of Articles : 306
PubChem 135483998
Molecular Formula

C20H25N7O6

SMILES

CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12?,13-/m1/s1

synonyms
  • 5-methyl-THF
  • N5-methylfolate
  • 5-Methyltetrahydrofolate
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Properties
Property Value
MW 459.5 g/mol
HBD 7
HBA 10
Rotatable Bond Count 9
Exact Mass 459.18663154 g/mol
Monoisotopic Mass 459.18663154 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 865
xlogp -0.5
Topological Polar Surface Area 199