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

ChEBI IDCHEBI:40856
ChEBI Name2-amino-6-{[(4-carboxyphenyl)amino]methyl}-4-hydroxypteridin-1-ium
Stars
Secondary ChEBI IDsCHEBI:37053, CHEBI:40849
Last Modified15 November 2007
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H13N6O3
Net Charge+1
Average Mass313.297
Monoisotopic Mass313.10436
SMILESNc1nc(O)c2nc(CNc3ccc(C(=O)O)cc3)cnc2[nH+]1
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-O
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-METHYL]-4-HYDROXY-PTERIDIN-1-IUMPDBeChem
PTERIC ACIDPDBeChem
Manual XrefsDatabases
APTPDBeChem