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CHEBI:136518 - 8-amino-8-demethylriboflavin(1−)

ChEBI IDCHEBI:136518
ChEBI Name8-amino-8-demethylriboflavin(1−)
Stars
ASCII Name8-amino-8-demethylriboflavin(1-)
DefinitionAn organic anion that is the conjugate base of 8-amino-8-demethylriboflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified6 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H18N5O6
Net Charge-1
Average Mass376.349
Monoisotopic Mass376.12626
SMILESCc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1N
InChIInChI=1S/C16H19N5O6/c1-6-2-8-9(3-7(6)17)21(4-10(23)13(25)11(24)5-22)14-12(18-8)15(26)20-16(27)19-14/h2-3,10-11,13,22-25H,4-5H2,1H3,(H3,17,19,20,26,27)/p-1/t10-,11+,13-/m0/s1
InChIKeyQKWPIZQKTLHNOD-LOWVWBTDSA-M
ChEBI Ontology
Outgoing Relation(s)
8-amino-8-demethylriboflavin(1−) (CHEBI:136518) is a organic anion (CHEBI:25696)
8-amino-8-demethylriboflavin(1−) (CHEBI:136518) is conjugate base of 8-amino-8-demethylriboflavin (CHEBI:137336)
Incoming 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 (CHEBI:137336) is conjugate acid of 8-amino-8-demethylriboflavin(1−) (CHEBI:136518)
IUPAC Name 
1-(8-amino-7-methyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-1-deoxy-D-ribitol
UniProt Name  Source
8-amino-8-demethylriboflavinUniProt
Manual XrefsDatabases
CPD-19835MetaCyc
Citations