Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-23 23:16:30 UTC
Update Date2024-04-30 20:32:53 UTC
Metabolite IDMMDBc0047932
Metabolite Identification
Common Name5-Formiminotetrahydrofolic acid
Description5-Formiminotetrahydrofolic acid is a substrate for Formimidoyltransferase-cyclodeaminase.
Structure
Synonyms
ValueSource
5-FormimidoyltetrahydrofolateKegg
5-Formimidoyltetrahydrofolic acidGenerator
5-FormiminotetrahydrofolateGenerator
Molecular FormulaC20H24N8O6
Average Mass472.4546
Monoisotopic Mass472.18188054
IUPAC Name2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
Traditional Name2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid
CAS Registry Number2311-81-1
SMILES
NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1
InChI Identifier
InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)
InChI KeyYCWUVLPMLLBDCU-UHFFFAOYSA-N