CHEBI:37055 - 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid

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ChEBI Name 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
ChEBI ID CHEBI:37055
Stars This entity has been manually annotated by the ChEBI Team.
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 Nc1nc2ncc(CNc3ccc(cc3)C(O)=O)nc2c(=O)[nH]1
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-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055) has functional parent 2-aminopteridin-4(3H)-one (CHEBI:44992)
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055) is a pteroic acid (CHEBI:38794)
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-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)
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055) is tautomer of 4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37066)
Incoming 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-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)
4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37066) is tautomer of 4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid (CHEBI:37055)
IUPAC Name
4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoic acid
Synonyms Sources
4-{[(2-amino-3,4-dihydro-4-oxopteridin-6-yl)methyl]amino}benzoic acid JCBN
pteroic acid JCBN
Registry Number Type Source
325845 Beilstein Registry Number Beilstein
Last Modified
15 November 2007