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

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ChEBI Name 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoic acid
ChEBI ID CHEBI:27623
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:45142, CHEBI:8628
Supplier Information
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Formula C14H12N6O3
Net Charge 0
Average Mass 312.28372
Monoisotopic Mass 312.09709
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)
InChIKey JOAQINSXLLMRCV-UHFFFAOYSA-N
SMILES Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
4-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid ChemIDplus
p-((2-amino-4-hydroxy-6-pteridylmethyl)amino)benzoic acid ChemIDplus
Pteroic acid KEGG COMPOUND
PTEROIC ACID PDBeChem
Manual Xrefs Databases
C07582 KEGG COMPOUND
PT1 PDBeChem
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Registry Numbers Types Sources
119-24-4 CAS Registry Number KEGG COMPOUND
119-24-4 CAS Registry Number ChemIDplus
568723 Beilstein Registry Number Beilstein
Last Modified
17 October 2009