CMDBS000008: 2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid

Name
2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methyl-formylamino]benzoyl]amino]pentanedioic acid
Molecular Formula
C20H23N7O7
Molecular Weight
473.4
Exact Mass
473.165896
SMILES
C1C(NC2=C(N1)NC(=NC2=O)N)CN(C=O)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
InChIKey
AUFGTPPARQZWDO-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)
Original Database
pubchem_10
Other Databases
NA
2D&3D Structure
Classification (data sourced from ClassyFire)
  • kingdom  Organic compounds
  •        superclass  Organoheterocyclic compounds
  •               class  Pteridines and derivatives
  •                      subclass  Pterins and derivatives
  •                             intermediate_parent1  Tetrahydropteroic acids and derivatives
  •                             intermediate_parent2  Tetrahydrofolic acids and derivatives
  •                                    direct_parent  Tetrahydrofolic acids
Related predicted(in silico) Spectrum

positive

negative