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CHEBI:26376 - 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate

ChEBI IDCHEBI:26376
ChEBI Name4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
Stars
Last Modified22 August 2024
DownloadsMolfile
FormulaC14H11N6O3
Net Charge-1
Average Mass311.281
Monoisotopic Mass311.08981
SMILESNc1nc(O)c2nc(CNc3ccc(C(=O)[O-])cc3)cnc2n1
InChIInChI=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
InChIKeyJOAQINSXLLMRCV-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate (CHEBI:26376) is a pteroate (CHEBI:38793)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate (CHEBI:26376) is a pteroates (CHEBI:38796)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate (CHEBI:26376) is conjugate base of 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623)
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)
Incoming Relation(s)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623) is conjugate acid of 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate (CHEBI:26376)
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)
IUPAC Name 
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
Registry NumbersSources
Beilstein:8512174Beilstein