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CHEBI:17839 - 7,8-dihydropteroate

ChEBI IDCHEBI:17839
ChEBI Name7,8-dihydropteroate
Stars
DefinitionA pteroate that is the conjugate base of 7,8-dihydropteroic acid, arising from deprotonation of the carboxy group.
Secondary ChEBI IDsCHEBI:14160, CHEBI:23762
Last Modified21 January 2016
DownloadsMolfile
FormulaC14H13N6O3
Net Charge-1
Average Mass313.297
Monoisotopic Mass313.10546
SMILESNc1nc2c(c(=O)n1)N=C(CNc1ccc(C(=O)[O-])cc1)CN2
InChIInChI=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)/p-1
InChIKeyWBFYVDCHGVNRBH-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Role:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
7,8-dihydropteroate (CHEBI:17839) has functional parent pteroate (CHEBI:38793)
7,8-dihydropteroate (CHEBI:17839) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
7,8-dihydropteroate (CHEBI:17839) is a pteroates (CHEBI:38796)
7,8-dihydropteroate (CHEBI:17839) is conjugate base of 7,8-dihydropteroic acid (CHEBI:4581)
Incoming Relation(s)
2-hydroxy-7,8-dihydropteroate (CHEBI:137600) has functional parent 7,8-dihydropteroate (CHEBI:17839)
7,8-dihydropteroic acid (CHEBI:4581) is conjugate acid of 7,8-dihydropteroate (CHEBI:17839)
IUPAC Name 
4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoate
UniProt Name  Source
7,8-dihydropteroateUniProt
Manual XrefsDatabases
C00921KEGG COMPOUND
7-8-DIHYDROPTEROATEMetaCyc
Citations