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

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ChEBI Name 8-carboxy-8-demethylriboflavin 5'-phosphate(4−)
ChEBI ID CHEBI:139571
ChEBI ASCII Name 8-carboxy-8-demethylriboflavin 5'-phosphate(4-)
Definition An 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C17H15N4O11P
Net Charge -4
Average Mass 482.296
Monoisotopic Mass 482.04969
InChI InChI=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
InChIKey BNNMNFPEVVMCTR-LOWVWBTDSA-J
SMILES C(N1C=2C(=NC3=C1C=C(C(=C3)C)C(=O)[O-])C([N-]C(N2)=O)=O)[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-]
ChEBI Ontology
Outgoing 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 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
Synonym Source
8-carboxy-8-demethylriboflavin 5'-phosphate UniProt
Manual Xref Database
CPD-19837 MetaCyc
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Last Modified
14 February 2018