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CHEBI:139571 - 8-carboxy-8-demethylriboflavin 5'-phosphate(4−)

ChEBI IDCHEBI:139571
ChEBI Name8-carboxy-8-demethylriboflavin 5'-phosphate(4−)
Stars
ASCII Name8-carboxy-8-demethylriboflavin 5'-phosphate(4-)
DefinitionAn organophosphate oxoanion obtained by deprotonation of the phosphate, carboxy 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
FormulaC17H15N4O11P
Net Charge-4
Average Mass482.298
Monoisotopic Mass482.04969
SMILESCc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])c2cc1C(=O)[O-]
InChIInChI=1S/C17H19N4O11P/c1-6-2-8-9(3-7(6)16(26)27)21(14-12(18-8)15(25)20-17(28)19-14)4-10(22)13(24)11(23)5-32-33(29,30)31/h2-3,10-11,13,22-24H,4-5H2,1H3,(H4,20,25,26,27,28,29,30,31)/p-4/t10-,11+,13-/m0/s1
InChIKeyBNNMNFPEVVMCTR-LOWVWBTDSA-J
ChEBI Ontology
Outgoing Relation(s)
8-carboxy-8-demethylriboflavin 5'-phosphate(4−) (CHEBI:139571) is a aromatic carboxylate (CHEBI:91007)
8-carboxy-8-demethylriboflavin 5'-phosphate(4−) (CHEBI:139571) is a organophosphate oxoanion (CHEBI:58945)
8-carboxy-8-demethylriboflavin 5'-phosphate(4−) (CHEBI:139571) is conjugate base of 8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157)
Incoming Relation(s)
8-carboxy-8-demethylriboflavin 5'-phosphate (CHEBI:140157) is conjugate acid of 8-carboxy-8-demethylriboflavin 5'-phosphate(4−) (CHEBI:139571)
IUPAC Name 
1-(8-carboxylato-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-5-O-phosphonato-D-ribitol
UniProt Name  Source
8-carboxy-8-demethylriboflavin 5'-phosphateUniProt
Manual XrefsDatabases
CPD-19837MetaCyc