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CHEBI:139569 - 8-amino-8-demethylriboflavin 5'-phosphate(3−)

ChEBI IDCHEBI:139569
ChEBI Name8-amino-8-demethylriboflavin 5'-phosphate(3−)
Stars
ASCII Name8-amino-8-demethylriboflavin 5'-phosphate(3-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate and 3-imido groups of 8-amino-8-demethylriboflavin 5'-phosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified13 February 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H17N5O9P
Net Charge-3
Average Mass454.312
Monoisotopic Mass454.07803
SMILESCc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])c2cc1N
InChIInChI=1S/C16H20N5O9P/c1-6-2-8-9(3-7(6)17)21(14-12(18-8)15(25)20-16(26)19-14)4-10(22)13(24)11(23)5-30-31(27,28)29/h2-3,10-11,13,22-24H,4-5H2,1H3,(H5,17,19,20,25,26,27,28,29)/p-3/t10-,11+,13-/m0/s1
InChIKeyWGPNFBBJYNPRBO-LOWVWBTDSA-K
ChEBI Ontology
Outgoing Relation(s)
8-amino-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139569) has functional parent 8-amino-8-demethylriboflavin(1−) (CHEBI:136518)
8-amino-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139569) is a organophosphate oxoanion (CHEBI:58945)
8-amino-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139569) is conjugate base of 8-amino-8-demethylriboflavin 5'-phosphate (CHEBI:140135)
Incoming Relation(s)
8-amino-8-demethylriboflavin 5'-phosphate (CHEBI:140135) is conjugate acid of 8-amino-8-demethylriboflavin 5'-phosphate(3−) (CHEBI:139569)
IUPAC Name 
1-(8-amino-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-1-deoxy-5-O-phosphonato-D-ribitol
UniProt Name  Source
8-amino-8-demethylriboflavin 5'-phosphateUniProt
Manual XrefsDatabases
CPD-19836MetaCyc
Citations