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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 8-amino-8-demethylriboflavin(1−)
ChEBI ID CHEBI:136518
ChEBI ASCII Name 8-amino-8-demethylriboflavin(1-)
Definition An 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C16H18N5O6
Net Charge -1
Average Mass 376.345
Monoisotopic Mass 376.12626
InChI InChI=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
InChIKey QKWPIZQKTLHNOD-LOWVWBTDSA-M
SMILES C(N1C=2C(=NC3=C1C=C(C(=C3)C)N)C([N-]C(N2)=O)=O)[C@H](O)[C@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing 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 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
Synonym Source
8-amino-8-demethylriboflavin UniProt
Manual Xref Database
CPD-19835 MetaCyc
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Citations Waiting for Citations Types Sources
21911488 PubMed citation SUBMITTER
26913589 PubMed citation SUBMITTER
Last Modified
06 June 2017