Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-06-05 22:51:19 UTC
Update Date2022-09-01 02:26:59 UTC
Metabolite IDMMDBc0054074
Metabolite Identification
Common Name(6S)-5-methyl-5,6,7,8-tetrahydrofolic acid
Description
Structure
Synonyms
ValueSource
(6S)-5-Methyl-5,6,7,8-tetrahydrofolateChEBI
(6S)-5-MethyltetrahydrofolateChEBI
(6S)-5-Methyl-5,6,7,8-tetrahydrofolic acidGenerator
(6S)-5-Methyltetrahydrofolic acidGenerator
5-Methyltetrahydrofolic acid(2-)Generator
Molecular FormulaC20H23N7O6
Average Mass457.4399
Monoisotopic Mass457.170981503
IUPAC Name(2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}pentanedioate
Traditional Name(6S)-5-methyltetrahydrofolate
CAS Registry NumberNot Available
SMILES
CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)CNC2=C1C(=O)NC(N)=N2
InChI Identifier
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)/p-2/t12-,13-/m0/s1
InChI KeyZNOVTXRBGFNYRX-STQMWFEESA-L