CHEBI:37078 - 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate
ChEBI ID CHEBI:37078
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C14H11N6O3
Net Charge -1
Average Mass 311.282
Monoisotopic Mass 311.08981
InChI InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)/p-1
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-M
SMILES NC1=NC2=C(N=C(CNC3=CC=C(C=C3)C([O-])=O)C=N2)C(=O)N1
ChEBI Ontology
Outgoing 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate (CHEBI:37078) is a pteroate (CHEBI:38793)
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate (CHEBI:37078) is conjugate base of 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055)
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate (CHEBI:37078) is tautomer of 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate (CHEBI:26376)
Incoming 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055) is conjugate acid of 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate (CHEBI:37078)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate (CHEBI:26376) is tautomer of 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate (CHEBI:37078)
IUPAC Name
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoate
Last Modified
22 August 2024