CHEBI:40856 - 2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium
ChEBI ID CHEBI:40856
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:37053, CHEBI:40849
Supplier Information
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Formula C14H13N6O3
Net Charge +1
Average Mass 313.29166
Monoisotopic Mass 313.10436
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-O
SMILES Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2[nH+]1
ChEBI Ontology
Outgoing 2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium (CHEBI:40856) is a pterins (CHEBI:26375)
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)
Incoming 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)
IUPAC Name
2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium
Synonyms Sources
2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-METHYL]-4-HYDROXY-PTERIDIN-1-IUM PDBeChem
PTERIC ACID PDBeChem
Manual Xref Database
APT PDBeChem
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Last Modified
15 November 2007