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CHEBI:139570 - 8-formyl-8-demethylriboflavin 5'-phosphate(3−)

ChEBI IDCHEBI:139570
ChEBI Name8-formyl-8-demethylriboflavin 5'-phosphate(3−)
Stars
ASCII Name8-formyl-8-demethylriboflavin 5'-phosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate and 3-imido groups of 8-formyl-8-demethylriboflavin 5'-phosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified14 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC17H16N4O10P
Net Charge-3
Average Mass467.307
Monoisotopic Mass467.06205
SMILES[H]C(=O)c1cc2c(cc1C)nc1c(=O)[n-]c(=O)nc-1n2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]
InChIInChI=1S/C17H19N4O10P/c1-7-2-9-10(3-8(7)5-22)21(15-13(18-9)16(26)20-17(27)19-15)4-11(23)14(25)12(24)6-31-32(28,29)30/h2-3,5,11-12,14,23-25H,4,6H2,1H3,(H3,20,26,27,28,29,30)/p-3/t11-,12+,14-/m0/s1
InChIKeyTZAPMZFMEMVUSE-SCRDCRAPSA-K
ChEBI Ontology
Outgoing Relation(s)
8-formyl-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139570) is a organophosphate oxoanion (CHEBI:58945)
8-formyl-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139570) is conjugate base of 8-formyl-8-demethylriboflavin 5'-phosphate (CHEBI:140156)
Incoming Relation(s)
8-formyl-8-demethylriboflavin 5'-phosphate (CHEBI:140156) is conjugate acid of 8-formyl-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139570)
IUPAC Name 
1-deoxy-1-(8-formyl-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-5-O-phosphonato-D-ribitol
Synonym  Source
8-oxoriboflavin 5'-phosphateChEBI
UniProt Name  Source
8-demethyl-8-formylriboflavin 5'-phosphateUniProt
Manual XrefsDatabases
CPD-19838MetaCyc