CHEBI:4581 - 7,8-dihydropteroic acid

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ChEBI Name 7,8-dihydropteroic acid ChEBI ID CHEBI:4581 Definition A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB4321770, eMolecules:713562, ZINC000169289809 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H14N6O3 Net Charge 0 Average Mass 314.29960 Monoisotopic Mass 314.11274 InChI InChI=1S/C14H14N6O3/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/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21) InChIKey WBFYVDCHGVNRBH-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 7,8-dihydropteroic acid (CHEBI:4581) has functional parent pteroic acid (CHEBI:38794) 7,8-dihydropteroic acid (CHEBI:4581) is a pteroic acids (CHEBI:38795) 7,8-dihydropteroic acid (CHEBI:4581) is conjugate acid of 7,8-dihydropteroate (CHEBI:17839) Incoming 2-hydroxy-7,8-dihydropteroic acid (CHEBI:138237) has functional parent 7,8-dihydropteroic acid (CHEBI:4581) 7,8-dihydropteroate (CHEBI:17839) is conjugate base of 7,8-dihydropteroic acid (CHEBI:4581) IUPAC Name 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoic acid Synonyms Sources 4-(((2-amino-1,4,7,8-tetrahydro-4-oxo-6-pteridinyl)methyl)amino)benzoic acid ChemIDplus 7,8-Dihydropteroate KEGG COMPOUND Dihydropteroate KEGG COMPOUND Dihydropteroinsäure ChEBI Manual Xrefs Databases C00007228 KNApSAcK C00921 KEGG COMPOUND View more database links Registry Numbers Types Sources 1226443 Reaxys Registry Number Reaxys 2134-76-1 CAS Registry Number ChemIDplus Last Modified 17 August 2017