CHEBI:27623 - 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid

ChEBI IDCHEBI:27623
ChEBI Name4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid
Stars
Secondary ChEBI IDsCHEBI:8628, CHEBI:45142
Last Modified22 August 2024
DownloadsMolfile
FormulaC14H12N6O3
Net Charge0
Average Mass312.289
Monoisotopic Mass312.09709
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)
InChIKeyJOAQINSXLLMRCV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623) has functional parent 2-aminopteridin-4-ol (CHEBI:18265)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623) is a pteroic acid (CHEBI:38794)
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-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623) is conjugate base of 2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium (CHEBI:40856)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623) is tautomer of 4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37066)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623) is tautomer of 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055)
Incoming Relation(s)
2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium (CHEBI:40856) is conjugate acid 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 conjugate base of 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623)
4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37066) is tautomer of 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623)
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055) is tautomer of 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid (CHEBI:27623)
IUPAC Name 
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid
Synonyms  Source
4-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acidChemIDplus
p-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acidChemIDplus
Pteroic acidKEGG COMPOUND
PTEROIC ACIDPDBeChem
Manual XrefsDatabases
C07582KEGG COMPOUND
PT1PDBeChem
Registry NumbersSources
Beilstein:568723Beilstein
CAS:119-24-4KEGG COMPOUND
CAS:119-24-4ChemIDplus