CHEBI:137336 - 8-amino-8-demethylriboflavin

ChEBI IDCHEBI:137336
ChEBI Name8-amino-8-demethylriboflavin
Stars
DefinitionA benzopteridine that is riboflavin in which the methyl group at position 8 has been replaced by an amino group.
Last Modified13 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC16H19N5O6
Net Charge0
Average Mass377.357
Monoisotopic Mass377.13353
SMILESCc1cc2nc3c(=O)nc(=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,4-5,17H2,1H3,(H,20,26,27)/t10-,11+,13-/m0/s1
InChIKeyBZHBNLOEUZEUOA-LOWVWBTDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
8-amino-8-demethylriboflavin (CHEBI:137336) has functional parent riboflavin (CHEBI:17015)
8-amino-8-demethylriboflavin (CHEBI:137336) is a aromatic amine (CHEBI:33860)
8-amino-8-demethylriboflavin (CHEBI:137336) is a benzopteridine (CHEBI:38925)
8-amino-8-demethylriboflavin (CHEBI:137336) is a primary amino compound (CHEBI:50994)
8-amino-8-demethylriboflavin (CHEBI:137336) is a tetrol (CHEBI:33573)
8-amino-8-demethylriboflavin (CHEBI:137336) is conjugate acid of 8-amino-8-demethylriboflavin(1−) (CHEBI:136518)
Incoming Relation(s)
8-amino-8-demethylriboflavin 5'-phosphate (CHEBI:140135) has functional parent 8-amino-8-demethylriboflavin (CHEBI:137336)
8-amino-8-demethylriboflavin(1−) (CHEBI:136518) is conjugate base of 8-amino-8-demethylriboflavin (CHEBI:137336)
IUPAC Name 
1-(8-amino-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-1-deoxy-D-ribitol
Synonym  Source
8-Amino-8-demethyl-D-riboflavinChemIDplus
Manual XrefsDatabases
CPD-19835MetaCyc
Registry NumbersSources
Reaxys:587780Reaxys
CAS:5178-05-2ChemIDplus
Citations